| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.7 | Very low | 44.7 | Very low | 201 Ų | 201 | 114.5 Ų | 114.5 | 99% | 0.99 | 56% | 0.557 | S | S | * | * | 0 | -27.4 | 0 | -77.4 | 178.9 | 166.2 | 0 | 0 | 113.2 | |||||
| 2 | Q | 38.2 | Very low | 45.1 | Very low | 134 Ų | 134 | 113.6 Ų | 113.6 | 63% | 0.626 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.7 | -48.9 | 179 | -141.9 | 67 | 17.3 | 0 | 0 | 114.4 | K4 R5 D6 | Q2-K4 VanDerWaalsContact C-N 3.26Å; Q2-K4 PolarHBondContact O-N 3.25Å; Q2-K4 VanDerWaalsContact O-N 3.1Å; Q2-R5 PolarHBondContact O-N 2.99Å; Q2-R5 VanDerWaalsContact O-N 3.14Å; Q2-D6 PolarHBondContact O-N 3.28Å |
| 3 | S | 50.4 | Low | 45.9 | Very low | 93 Ų | 93 | 121 Ų | 121 | 65% | 0.65 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -59.1 | -27.5 | -177.3 | 159.6 | 0 | 0 | 0 | 0 | 115.4 | C7 | S3-C7 WeakPolarHBondContact O-CB 3.25Å; S3-C7 PolarHBondContact O-N 2.98Å; S3-C7 VanDerWaalsContact O-N 3.14Å |
| 4 | K | 42 | Very low | 46.9 | Very low | 159 Ų | 159 | 116.9 Ų | 116.9 | 69% | 0.691 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -76.1 | -42.8 | 178.6 | -128.3 | -176.1 | -177 | -174 | 0 | 111.3 | Q2 C7 E8 | Q2-K4 VanDerWaalsContact C-N 3.26Å; Q2-K4 PolarHBondContact O-N 3.25Å; Q2-K4 VanDerWaalsContact O-N 3.1Å; K4-C7 PolarHBondContact O-N 3.2Å; K4-E8 WeakPolarHBondContact O-CB 3.32Å; K4-E8 VanDerWaalsContact O-CG 3.31Å; K4-E8 WeakPolarHBondContact O-CG 3.41Å; K4-E8 PolarHBondContact O-N 3.25Å |
| 5 | R | 46.8 | Very low | 48.5 | Very low | 153 Ų | 153 | 110 Ų | 110 | 58% | 0.577 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67 | -39.2 | 175.3 | -68.9 | -174.4 | -165.7 | 177 | 4.7 | 111.4 | Q2 E8 L9 | Q2-R5 PolarHBondContact O-N 2.99Å; Q2-R5 VanDerWaalsContact O-N 3.14Å; R5-E8 PolarHBondContact O-N 2.97Å; R5-L9 WeakPolarHBondContact O-CB 3.32Å; R5-L9 WeakPolarHBondContact O-CD1 3.5Å; R5-L9 VanDerWaalsContact O-CG 3.25Å; R5-L9 WeakPolarHBondContact O-CG 3.42Å; R5-L9 PolarHBondContact O-N 3.43Å |
| 6 | D | 43.3 | Very low | 50.4 | Low | 86 Ų | 86 | 108 Ų | 108 | 46% | 0.46 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.1 | -37.8 | 177.3 | -62.9 | -28.3 | 0 | 0 | 0 | 111.8 | Q2 W10 | Q2-D6 PolarHBondContact O-N 3.28Å; D6-W10 VanDerWaalsContact O-CB 3.32Å; D6-W10 WeakPolarHBondContact O-CB 3.24Å; D6-W10 PolarHBondContact O-N 3.46Å |
| 7 | C | 45.5 | Very low | 52.3 | Low | 58 Ų | 58 | 111.1 Ų | 111.1 | 39% | 0.392 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 170.2 | -89 | 0 | 0 | 0 | 0 | 111.9 | S3 K4 L9 W10 C11 | S3-C7 WeakPolarHBondContact O-CB 3.25Å; S3-C7 PolarHBondContact O-N 2.98Å; S3-C7 VanDerWaalsContact O-N 3.14Å; K4-C7 PolarHBondContact O-N 3.2Å; C7-L9 PolarHBondContact O-N 3.27Å; C7-W10 PolarHBondContact O-N 3.3Å; C7-C11 PolarHBondContact O-N 3.08Å; C7-C11 PolarHBondContact O-SG 3.33Å |
| 8 | E | 43.7 | Very low | 54.1 | Low | 113 Ų | 113 | 106.8 Ų | 106.8 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 177.7 | -76.1 | 164.8 | 179.3 | 0 | 0 | 111.7 | K4 R5 W10 C11 E12 | K4-E8 WeakPolarHBondContact O-CB 3.32Å; K4-E8 VanDerWaalsContact O-CG 3.31Å; K4-E8 WeakPolarHBondContact O-CG 3.41Å; K4-E8 PolarHBondContact O-N 3.25Å; R5-E8 PolarHBondContact O-N 2.97Å; E8-W10 PolarHBondContact O-N 3.5Å; E8-C11 WeakPolarHBondContact O-CB 3.45Å; E8-C11 PolarHBondContact O-N 3.07Å; E8-E12 PolarHBondContact O-N 3.48Å |
| 9 | L | 46.5 | Very low | 55.7 | Low | 100 Ų | 100 | 105.1 Ų | 105.1 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.7 | -31.4 | 176.7 | -72.8 | 161.6 | 0 | 0 | 0 | 113 | R5 C7 R13 | R5-L9 WeakPolarHBondContact O-CB 3.32Å; R5-L9 WeakPolarHBondContact O-CD1 3.5Å; R5-L9 VanDerWaalsContact O-CG 3.25Å; R5-L9 WeakPolarHBondContact O-CG 3.42Å; R5-L9 PolarHBondContact O-N 3.43Å; C7-L9 PolarHBondContact O-N 3.27Å; L9-R13 PolarHBondContact O-N 2.97Å |
| 10 | W | 46.8 | Very low | 57.2 | Low | 138 Ų | 138 | 102.6 Ų | 102.6 | 52% | 0.523 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.3 | -37.6 | 174.3 | -161.7 | 81.1 | 0 | 0 | 0 | 111.8 | D6 C7 E8 E12 R13 V14 L96 | D6-W10 VanDerWaalsContact O-CB 3.32Å; D6-W10 WeakPolarHBondContact O-CB 3.24Å; D6-W10 PolarHBondContact O-N 3.46Å; C7-W10 PolarHBondContact O-N 3.3Å; E8-W10 PolarHBondContact O-N 3.5Å; W10-E12 VanDerWaalsContact C-N 3.3Å; W10-E12 PolarHBondContact O-N 3.5Å; W10-R13 PolarHBondContact O-N 2.91Å; W10-V14 HydrophobicContact CD2-CG2 3.91Å; W10-V14 HydrophobicContact CE3-CG2 3.94Å; W10-V14 HydrophobicContact CH2-CG2 4.09Å; W10-V14 HydrophobicContact CZ2-CG2 4.05Å; W10-V14 HydrophobicContact CZ3-CG2 4.03Å; W10-V14 VanDerWaalsContact O-CG2 3.29Å; W10-V14 WeakPolarHBondContact O-CG2 3.22Å; W10-V14 PolarHBondContact O-N 3.46Å; W10-L96 HydrophobicContact CZ3-CD1 4.02Å |
| 11 | C | 46.4 | Very low | 58.8 | Low | 25 Ų | 25 | 99.5 Ų | 99.5 | 17% | 0.169 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -56.7 | -44.2 | 174.3 | -56.1 | 0 | 0 | 0 | 0 | 112.3 | C7 E8 R13 V14 S94 | C7-C11 PolarHBondContact O-N 3.08Å; C7-C11 PolarHBondContact O-SG 3.33Å; E8-C11 WeakPolarHBondContact O-CB 3.45Å; E8-C11 PolarHBondContact O-N 3.07Å; C11-R13 VanDerWaalsContact C-N 3.28Å; C11-R13 PolarHBondContact O-N 2.75Å; C11-V14 PolarHBondContact O-N 3.26Å; C11-S94 WeakPolarHBondContact SG-CA 3.35Å; C11-S94 PolarHBondContact SG-O 3.19Å |
| 12 | E | 49.3 | Very low | 61 | Low | 103 Ų | 103 | 90.7 Ų | 90.7 | 48% | 0.481 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.7 | -28.6 | -176.4 | -69.3 | -173.5 | 154.7 | 0 | 0 | 112.3 | E8 W10 K19 | E8-E12 PolarHBondContact O-N 3.48Å; W10-E12 VanDerWaalsContact C-N 3.3Å; W10-E12 PolarHBondContact O-N 3.5Å; E12-K19 IonicContact OE1-NZ 3.1Å; E12-K19 PolarHBondContact OE1-NZ 3.19Å |
| 13 | R | 55.8 | Low | 63.5 | Low | 210 Ų | 210 | 88.9 Ų | 88.9 | 79% | 0.792 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -81.3 | -29.1 | 178.1 | -73.7 | 175.4 | 62.5 | -171 | -0.3 | 114.1 | L9 W10 C11 | L9-R13 PolarHBondContact O-N 2.97Å; W10-R13 PolarHBondContact O-N 2.91Å; C11-R13 VanDerWaalsContact C-N 3.28Å; C11-R13 PolarHBondContact O-N 2.75Å |
| 14 | V | 59.2 | Low | 65.4 | Low | 63 Ų | 63 | 86.5 Ų | 86.5 | 38% | 0.382 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -79.7 | -25.8 | -171.2 | 173.9 | 0 | 0 | 0 | 0 | 112.3 | W10 C11 L96 | W10-V14 HydrophobicContact CD2-CG2 3.91Å; W10-V14 HydrophobicContact CE3-CG2 3.94Å; W10-V14 HydrophobicContact CH2-CG2 4.09Å; W10-V14 HydrophobicContact CZ2-CG2 4.05Å; W10-V14 HydrophobicContact CZ3-CG2 4.03Å; W10-V14 VanDerWaalsContact O-CG2 3.29Å; W10-V14 WeakPolarHBondContact O-CG2 3.22Å; W10-V14 PolarHBondContact O-N 3.46Å; C11-V14 PolarHBondContact O-N 3.26Å; V14-L96 HydrophobicContact CG1-CD1 4.16Å; V14-L96 HydrophobicContact CG1-CD2 3.95Å |
| 15 | N | 71.3 | Confident | 67.9 | Low | 14 Ų | 14 | 80.4 Ų | 80.4 | 8% | 0.075 | 40% | 0.402 | C | S | . | . | trans | -163.8 | 68.7 | 178.9 | -165.8 | -0.4 | 0 | 0 | 0 | 115.3 | E17 N18 K19 D68 | N15-E17 PolarHBondContact O-N 3.15Å; N15-N18 VanDerWaalsContact CG-ND2 3.26Å; N15-N18 WeakPolarHBondContact ND2-CB 3.4Å; N15-N18 PolarHBondContact ND2-ND2 3.33Å; N15-N18 WeakPolarHBondContact OD1-CB 3.28Å; N15-N18 PolarHBondContact OD1-N 3.15Å; N15-N18 PolarHBondContact OD1-ND2 3.3Å; N15-K19 WeakPolarHBondContact O-CB 3.24Å; N15-K19 PolarHBondContact O-N 2.98Å; N15-D68 HydrophobicContact CB-CB 4.5Å; N15-D68 WeakPolarHBondContact ND2-CA 3.37Å; N15-D68 WeakPolarHBondContact ND2-CB 3.46Å; N15-D68 PolarHBondContact ND2-O 2.77Å | ||
| 16 | P | 78.4 | Confident | 70 | Confident | 78 Ų | 78 | 75.3 Ų | 75.3 | 51% | 0.506 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.9 | -36.8 | -178.3 | 26 | -33.5 | 0 | 0 | 0 | 112.6 | K19 A20 | P16-K19 PolarHBondContact O-N 3.43Å; P16-A20 WeakPolarHBondContact O-CB 3.47Å; P16-A20 PolarHBondContact O-N 3Å |
| 17 | E | 83.7 | Confident | 72.3 | Confident | 160 Ų | 160 | 80.3 Ų | 80.3 | 75% | 0.748 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64.8 | -51.1 | -176.6 | -66.7 | -179.4 | 177 | 0 | 0 | 112.4 | N15 K19 A20 A21 | N15-E17 PolarHBondContact O-N 3.15Å; E17-K19 VanDerWaalsContact C-N 3.28Å; E17-K19 PolarHBondContact O-N 3.35Å; E17-A20 PolarHBondContact O-N 3.25Å; E17-A21 WeakPolarHBondContact O-CB 3.35Å; E17-A21 PolarHBondContact O-N 3.44Å |
| 18 | N | 83.8 | Confident | 74.5 | Confident | 34 Ų | 34 | 85.3 Ų | 85.3 | 18% | 0.182 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -71.1 | -26 | -179.9 | -69.4 | -76.5 | 0 | 0 | 0 | 112.3 | N15 L22 Y70 H72 Q73 | N15-N18 VanDerWaalsContact CG-ND2 3.26Å; N15-N18 WeakPolarHBondContact ND2-CB 3.4Å; N15-N18 PolarHBondContact ND2-ND2 3.33Å; N15-N18 WeakPolarHBondContact OD1-CB 3.28Å; N15-N18 PolarHBondContact OD1-N 3.15Å; N15-N18 PolarHBondContact OD1-ND2 3.3Å; N18-L22 VanDerWaalsContact O-CB 3.3Å; N18-L22 WeakPolarHBondContact O-CB 3.37Å; N18-L22 PolarHBondContact O-N 3.35Å; N18-Y70 HydrophobicContact CB-CD2 3.83Å; N18-Y70 HydrophobicContact CB-CE2 3.98Å; N18-H72 PolarHBondContact O-CE1 3.1Å; N18-Q73 PolarHBondContact OD1-NE2 2.89Å |
| 19 | K | 83.9 | Confident | 76.7 | Confident | 74 Ų | 74 | 83 Ų | 83 | 32% | 0.322 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.3 | -48.3 | 172.3 | -175.9 | -176.3 | 172.9 | -169.8 | 0 | 110.1 | E12 N15 P16 E17 A21 L22 E23 | E12-K19 IonicContact OE1-NZ 3.1Å; E12-K19 PolarHBondContact OE1-NZ 3.19Å; N15-K19 WeakPolarHBondContact O-CB 3.24Å; N15-K19 PolarHBondContact O-N 2.98Å; P16-K19 PolarHBondContact O-N 3.43Å; E17-K19 VanDerWaalsContact C-N 3.28Å; E17-K19 PolarHBondContact O-N 3.35Å; K19-A21 VanDerWaalsContact C-N 3.32Å; K19-A21 PolarHBondContact O-N 3.45Å; K19-L22 WeakPolarHBondContact O-CB 3.48Å; K19-L22 PolarHBondContact O-N 3.33Å; K19-E23 VanDerWaalsContact CE-OE1 3.32Å; K19-E23 WeakPolarHBondContact CE-OE1 3.39Å; K19-E23 WeakPolarHBondContact O-CG 3.34Å; K19-E23 PolarHBondContact O-N 3.23Å |
| 20 | A | 87.4 | Confident | 78.6 | Confident | 55 Ų | 55 | 81.2 Ų | 81.2 | 46% | 0.455 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | P16 E17 L22 E23 A24 | P16-A20 WeakPolarHBondContact O-CB 3.47Å; P16-A20 PolarHBondContact O-N 3Å; E17-A20 PolarHBondContact O-N 3.25Å; A20-L22 PolarHBondContact O-N 3.27Å; A20-E23 PolarHBondContact O-N 3.42Å; A20-A24 WeakPolarHBondContact O-CB 3.3Å; A20-A24 PolarHBondContact O-N 3.14Å |
| 21 | A | 89.1 | Confident | 80.5 | Confident | 39 Ų | 39 | 75.8 Ų | 75.8 | 32% | 0.322 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | E17 K19 W25 | E17-A21 WeakPolarHBondContact O-CB 3.35Å; E17-A21 PolarHBondContact O-N 3.44Å; K19-A21 VanDerWaalsContact C-N 3.32Å; K19-A21 PolarHBondContact O-N 3.45Å; A21-W25 VanDerWaalsContact O-CB 3.24Å; A21-W25 WeakPolarHBondContact O-CB 3.29Å; A21-W25 PolarHBondContact O-N 3.37Å |
| 22 | L | 89.3 | Confident | 82.4 | Confident | 15 Ų | 15 | 84.3 Ų | 84.3 | 8% | 0.079 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 174 | 178.2 | 68.2 | 0 | 0 | 0 | 111.6 | N18 K19 A20 W25 V26 L33 R40 Y70 E71 H72 | N18-L22 VanDerWaalsContact O-CB 3.3Å; N18-L22 WeakPolarHBondContact O-CB 3.37Å; N18-L22 PolarHBondContact O-N 3.35Å; K19-L22 WeakPolarHBondContact O-CB 3.48Å; K19-L22 PolarHBondContact O-N 3.33Å; A20-L22 PolarHBondContact O-N 3.27Å; L22-W25 HydrophobicContact CD1-CE3 4.23Å; L22-W25 PolarHBondContact O-N 2.79Å; L22-V26 HydrophobicContact CD1-CG2 4.49Å; L22-V26 WeakPolarHBondContact O-CB 3.45Å; L22-V26 VanDerWaalsContact O-CG2 3.31Å; L22-V26 WeakPolarHBondContact O-CG2 3.45Å; L22-V26 PolarHBondContact O-N 3.15Å; L22-L33 HydrophobicContact CD1-CD1 3.98Å; L22-R40 VanDerWaalsContact CD2-NH1 3.3Å; L22-Y70 HydrophobicContact CD2-CG 4.26Å; L22-E71 HydrophobicContact CD1-CB 4.06Å; L22-H72 HydrophobicContact CD1-CB 4.07Å |
| 23 | E | 90.4 | Very high | 84.4 | Confident | 96 Ų | 96 | 81.3 Ų | 81.3 | 45% | 0.449 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 179.4 | -71.2 | 171.4 | -175 | 0 | 0 | 111.9 | K19 A20 V26 R27 | K19-E23 VanDerWaalsContact CE-OE1 3.32Å; K19-E23 WeakPolarHBondContact CE-OE1 3.39Å; K19-E23 WeakPolarHBondContact O-CG 3.34Å; K19-E23 PolarHBondContact O-N 3.23Å; A20-E23 PolarHBondContact O-N 3.42Å; E23-V26 PolarHBondContact O-N 2.67Å; E23-R27 WeakPolarHBondContact O-CB 3.45Å; E23-R27 PolarHBondContact O-N 3.17Å |
| 24 | A | 91.4 | Very high | 86 | Confident | 43 Ų | 43 | 74.3 Ų | 74.3 | 36% | 0.355 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A20 V26 R27 E28 | A20-A24 WeakPolarHBondContact O-CB 3.3Å; A20-A24 PolarHBondContact O-N 3.14Å; A24-V26 VanDerWaalsContact C-N 3.34Å; A24-V26 PolarHBondContact O-N 3.1Å; A24-R27 WeakPolarHBondContact O-CB 3.12Å; A24-R27 PolarHBondContact O-N 3.29Å; A24-R27 VanDerWaalsContact O-N 3.14Å; A24-E28 WeakPolarHBondContact O-CB 3.42Å; A24-E28 PolarHBondContact O-N 2.79Å |
| 25 | W | 93.5 | Very high | 87.3 | Confident | 32 Ų | 32 | 76.5 Ų | 76.5 | 12% | 0.121 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 177.7 | 178.3 | 78.6 | 0 | 0 | 0 | 112.4 | A21 L22 R27 E28 T29 I31 E71 H72 I75 P76 | A21-W25 VanDerWaalsContact O-CB 3.24Å; A21-W25 WeakPolarHBondContact O-CB 3.29Å; A21-W25 PolarHBondContact O-N 3.37Å; L22-W25 HydrophobicContact CD1-CE3 4.23Å; L22-W25 PolarHBondContact O-N 2.79Å; W25-R27 VanDerWaalsContact C-N 3.35Å; W25-E28 PolarHBondContact O-N 2.78Å; W25-T29 HydrophobicContact CD2-CG2 4.36Å; W25-T29 HydrophobicContact CG-CG2 4.33Å; W25-T29 HydrophobicContact CZ2-CG2 4.46Å; W25-T29 WeakPolarHBondContact O-CB 3.29Å; W25-T29 WeakPolarHBondContact O-CG2 3.49Å; W25-T29 PolarHBondContact O-N 3.42Å; W25-T29 PolarHBondContact O-OG1 2.84Å; W25-I31 HydrophobicContact CH2-CB 4.32Å; W25-I31 HydrophobicContact CH2-CD1 3.39Å; W25-I31 HydrophobicContact CH2-CG1 4.43Å; W25-I31 HydrophobicContact CH2-CG2 4.12Å; W25-I31 HydrophobicContact CZ2-CD1 3.47Å; W25-I31 VanDerWaalsContact CZ2-CD1 3.47Å; W25-I31 HydrophobicContact CZ3-CB 4.36Å; W25-I31 HydrophobicContact CZ3-CD1 4.22Å; W25-I31 HydrophobicContact CZ3-CG2 4.14Å; W25-E71 HydrophobicContact CZ3-CB 4.45Å; W25-H72 HydrophobicContact CB-CB 3.66Å; W25-H72 HydrophobicContact CD2-CB 3.74Å; W25-H72 HydrophobicContact CE3-CB 3.99Å; W25-H72 HydrophobicContact CG-CB 3.6Å; W25-I75 HydrophobicContact CH2-CB 4.03Å; W25-I75 HydrophobicContact CH2-CD1 3.83Å; W25-I75 HydrophobicContact CH2-CG1 4.49Å; W25-I75 HydrophobicContact CH2-CG2 4.07Å; W25-I75 HydrophobicContact CZ2-CB 4.22Å; W25-I75 HydrophobicContact CZ2-CG2 4.14Å; W25-I75 HydrophobicContact CZ3-CD1 4.4Å; W25-P76 HydrophobicContact CZ2-CG 4.18Å |
| 26 | V | 90.9 | Very high | 87.8 | Confident | 45 Ų | 45 | 79 Ų | 79 | 27% | 0.273 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 174.6 | 162.6 | 0 | 0 | 0 | 0 | 111.3 | L22 E23 A24 G30 I31 L33 | L22-V26 HydrophobicContact CD1-CG2 4.49Å; L22-V26 WeakPolarHBondContact O-CB 3.45Å; L22-V26 VanDerWaalsContact O-CG2 3.31Å; L22-V26 WeakPolarHBondContact O-CG2 3.45Å; L22-V26 PolarHBondContact O-N 3.15Å; E23-V26 PolarHBondContact O-N 2.67Å; A24-V26 VanDerWaalsContact C-N 3.34Å; A24-V26 PolarHBondContact O-N 3.1Å; V26-G30 WeakPolarHBondContact O-CA 3.31Å; V26-G30 PolarHBondContact O-N 2.81Å; V26-I31 WeakPolarHBondContact CG1-O 3.4Å; V26-I31 PolarHBondContact O-N 2.85Å; V26-L33 HydrophobicContact CG2-CD1 3.79Å; V26-L33 HydrophobicContact CG2-CG 4.19Å |
| 27 | R | 92.3 | Very high | 88 | Confident | 191 Ų | 191 | 80.4 Ų | 80.4 | 72% | 0.721 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.9 | -43.3 | 178.8 | -167.5 | -173.8 | -54.8 | 122.9 | 5 | 111.9 | E23 A24 W25 | E23-R27 WeakPolarHBondContact O-CB 3.45Å; E23-R27 PolarHBondContact O-N 3.17Å; A24-R27 WeakPolarHBondContact O-CB 3.12Å; A24-R27 PolarHBondContact O-N 3.29Å; A24-R27 VanDerWaalsContact O-N 3.14Å; W25-R27 VanDerWaalsContact C-N 3.35Å |
| 28 | E | 92.4 | Very high | 88.1 | Confident | 164 Ų | 164 | 73.3 Ų | 73.3 | 77% | 0.766 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -69.4 | -47.1 | -179 | -177.7 | -179.1 | -172 | 0 | 0 | 112.1 | A24 W25 G30 | A24-E28 WeakPolarHBondContact O-CB 3.42Å; A24-E28 PolarHBondContact O-N 2.79Å; W25-E28 PolarHBondContact O-N 2.78Å; E28-G30 VanDerWaalsContact C-N 3.34Å |
| 29 | T | 88.1 | Confident | 88.3 | Confident | 63 Ų | 63 | 74 Ų | 74 | 39% | 0.387 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -82.9 | -12.6 | -176.3 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | W25 I31 | W25-T29 HydrophobicContact CD2-CG2 4.36Å; W25-T29 HydrophobicContact CG-CG2 4.33Å; W25-T29 HydrophobicContact CZ2-CG2 4.46Å; W25-T29 WeakPolarHBondContact O-CB 3.29Å; W25-T29 WeakPolarHBondContact O-CG2 3.49Å; W25-T29 PolarHBondContact O-N 3.42Å; W25-T29 PolarHBondContact O-OG1 2.84Å; T29-I31 HydrophobicContact CG2-CD1 4.35Å; T29-I31 PolarHBondContact O-N 3.2Å; T29-I31 WeakPolarHBondContact OG1-CB 3.25Å; T29-I31 WeakPolarHBondContact OG1-CD1 3.24Å; T29-I31 WeakPolarHBondContact OG1-CG1 3.33Å; T29-I31 PolarHBondContact OG1-N 2.97Å |
| 30 | G | 86.3 | Confident | 88.7 | Confident | 64 Ų | 64 | 72.1 Ų | 72.1 | 66% | 0.66 | 38% | 0.382 | S | S | * | . | trans | 63.4 | 15.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V26 E28 R32 | V26-G30 WeakPolarHBondContact O-CA 3.31Å; V26-G30 PolarHBondContact O-N 2.81Å; E28-G30 VanDerWaalsContact C-N 3.34Å; G30-R32 PolarHBondContact O-N 3.44Å | ||
| 31 | I | 86.8 | Confident | 89 | Confident | 23 Ų | 23 | 70.8 Ų | 70.8 | 12% | 0.118 | 37% | 0.366 | C | S | . | . | trans | -71.8 | 126.5 | -176.3 | -75.2 | 172.9 | 0 | 0 | 0 | 110.4 | W25 V26 T29 L33 Y42 | W25-I31 HydrophobicContact CH2-CB 4.32Å; W25-I31 HydrophobicContact CH2-CD1 3.39Å; W25-I31 HydrophobicContact CH2-CG1 4.43Å; W25-I31 HydrophobicContact CH2-CG2 4.12Å; W25-I31 HydrophobicContact CZ2-CD1 3.47Å; W25-I31 VanDerWaalsContact CZ2-CD1 3.47Å; W25-I31 HydrophobicContact CZ3-CB 4.36Å; W25-I31 HydrophobicContact CZ3-CD1 4.22Å; W25-I31 HydrophobicContact CZ3-CG2 4.14Å; V26-I31 WeakPolarHBondContact CG1-O 3.4Å; V26-I31 PolarHBondContact O-N 2.85Å; T29-I31 HydrophobicContact CG2-CD1 4.35Å; T29-I31 PolarHBondContact O-N 3.2Å; T29-I31 WeakPolarHBondContact OG1-CB 3.25Å; T29-I31 WeakPolarHBondContact OG1-CD1 3.24Å; T29-I31 WeakPolarHBondContact OG1-CG1 3.33Å; T29-I31 PolarHBondContact OG1-N 2.97Å; I31-L33 HydrophobicContact CG2-CD2 3.98Å; I31-L33 HydrophobicContact CG2-CG 4.35Å; I31-Y42 HydrophobicContact CB-CE2 4.47Å; I31-Y42 HydrophobicContact CD1-CE2 3.9Å; I31-Y42 HydrophobicContact CG1-CE2 4Å; I31-Y42 HydrophobicContact CG2-CD2 3.36Å; I31-Y42 HydrophobicContact CG2-CE2 3.65Å | ||
| 32 | R | 87.4 | Confident | 89.1 | Confident | 205 Ų | 205 | 69.9 Ų | 69.9 | 77% | 0.774 | 35% | 0.354 | S | S | * | . | trans | -86.6 | 115 | 174 | -168.7 | 177.9 | 179.4 | -156.5 | 1.4 | 111.3 | G30 V34 | G30-R32 PolarHBondContact O-N 3.44Å; R32-V34 HydrophobicContact CG-CG2 4.33Å | ||
| 33 | L | 90.2 | Very high | 89 | Confident | 39 Ų | 39 | 70.5 Ų | 70.5 | 20% | 0.204 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 131.2 | 169.8 | -60 | -179.5 | 0 | 0 | 0 | 110.4 | L22 V26 I31 R40 K41 E71 I75 | L22-L33 HydrophobicContact CD1-CD1 3.98Å; V26-L33 HydrophobicContact CG2-CD1 3.79Å; V26-L33 HydrophobicContact CG2-CG 4.19Å; I31-L33 HydrophobicContact CG2-CD2 3.98Å; I31-L33 HydrophobicContact CG2-CG 4.35Å; L33-R40 HydrophobicContact CB-CG 4.13Å; L33-K41 WeakPolarHBondContact CA-O 3.45Å; L33-E71 HydrophobicContact CD1-CB 4.3Å; L33-E71 HydrophobicContact CD1-CG 4.43Å; L33-I75 HydrophobicContact CD2-CD1 4.43Å |
| 34 | V | 89.3 | Confident | 88.2 | Confident | 63 Ų | 63 | 67.5 Ų | 67.5 | 38% | 0.382 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 124.5 | 178.8 | -172.5 | 0 | 0 | 0 | 0 | 109.7 | R32 V36 K41 | R32-V34 HydrophobicContact CG-CG2 4.33Å; V34-V36 HydrophobicContact CG1-CG2 3.72Å; V34-K41 PolarHBondContact N-O 3.17Å; V34-K41 WeakPolarHBondContact O-CB 3.44Å; V34-K41 PolarHBondContact O-N 2.81Å |
| 35 | Q | 86.8 | Confident | 87.8 | Confident | 110 Ų | 110 | 69 Ų | 69 | 51% | 0.514 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 117.7 | 175.8 | -170.7 | 162.8 | -40.9 | 0 | 0 | 110.8 | Q39 | Q35-Q39 CarbonylContact C-O 3.58Å; Q35-Q39 VanDerWaalsContact CA-O 3.28Å; Q35-Q39 WeakPolarHBondContact CA-O 3.4Å |
| 36 | V | 83.4 | Confident | 87.3 | Confident | 65 Ų | 65 | 68 Ų | 68 | 39% | 0.394 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 125.7 | -179.9 | -172.1 | 0 | 0 | 0 | 0 | 109.4 | V34 G38 Q39 | V34-V36 HydrophobicContact CG1-CG2 3.72Å; V36-G38 VanDerWaalsContact C-N 3.3Å; V36-G38 PolarHBondContact O-N 3.39Å; V36-Q39 PolarHBondContact N-O 3.2Å; V36-Q39 PolarHBondContact O-N 3.02Å |
| 37 | N | 81.5 | Confident | 86.7 | Confident | 108 Ų | 108 | 71.1 Ų | 71.1 | 58% | 0.578 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 42.4 | 175.5 | -60.4 | -32.2 | 0 | 0 | 0 | 114.2 | Q39 | N37-Q39 VanDerWaalsContact C-N 3.29Å; N37-Q39 PolarHBondContact O-N 2.83Å |
| 38 | G | 85 | Confident | 86 | Confident | 11 Ų | 11 | 65.3 Ų | 65.3 | 11% | 0.113 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | 20 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | V36 M91 | V36-G38 VanDerWaalsContact C-N 3.3Å; V36-G38 PolarHBondContact O-N 3.39Å; G38-M91 PolarHBondContact O-N 2.78Å |
| 39 | Q | 89.9 | Confident | 85.6 | Confident | 50 Ų | 50 | 59.9 Ų | 59.9 | 23% | 0.234 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 127.9 | 170.7 | -44.5 | -169.3 | 10.8 | 0 | 0 | 108.7 | Q35 V36 N37 K41 L89 M90 | Q35-Q39 CarbonylContact C-O 3.58Å; Q35-Q39 VanDerWaalsContact CA-O 3.28Å; Q35-Q39 WeakPolarHBondContact CA-O 3.4Å; V36-Q39 PolarHBondContact N-O 3.2Å; V36-Q39 PolarHBondContact O-N 3.02Å; N37-Q39 VanDerWaalsContact C-N 3.29Å; N37-Q39 PolarHBondContact O-N 2.83Å; Q39-K41 HydrophobicContact CB-CG 4.31Å; Q39-L89 CarbonylContact C-O 3.47Å; Q39-L89 WeakPolarHBondContact CA-O 3.31Å; Q39-M90 HydrophobicContact CB-SD 4.21Å; Q39-M90 HydrophobicContact CG-CE 3.71Å; Q39-M90 HydrophobicContact CG-SD 3.56Å; Q39-M90 VanDerWaalsContact CG-SD 3.56Å |
| 40 | R | 92.3 | Very high | 85.2 | Confident | 34 Ų | 34 | 63.4 Ų | 63.4 | 13% | 0.128 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.4 | 169.7 | -166.9 | 179.3 | -44.6 | 144.9 | -8.5 | 108.8 | L22 L33 E71 R88 L89 M91 | L22-R40 VanDerWaalsContact CD2-NH1 3.3Å; L33-R40 HydrophobicContact CB-CG 4.13Å; R40-E71 VanDerWaalsContact CB-OE1 3.27Å; R40-E71 WeakPolarHBondContact CB-OE1 3.41Å; R40-E71 WeakPolarHBondContact CD-OE1 3.28Å; R40-E71 WeakPolarHBondContact CG-OE1 3.48Å; R40-E71 IonicContact NE-OE1 2.7Å; R40-E71 IonicContact NH1-OE1 2.67Å; R40-E71 IonicContact NH1-OE2 3.52Å; R40-E71 PolarHBondContact NH1-OE2 3.49Å; R40-R88 WeakPolarHBondContact O-CA 3.42Å; R40-L89 PolarHBondContact N-O 3.41Å; R40-L89 PolarHBondContact O-N 3.27Å; R40-M91 HydrophobicContact CB-CG 3.89Å; R40-M91 HydrophobicContact CB-SD 4.49Å |
| 41 | K | 91.9 | Very high | 84.8 | Confident | 27 Ų | 27 | 63.1 Ų | 63.1 | 12% | 0.117 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 134.3 | -163.9 | -57.6 | -174.8 | 70.6 | -160.1 | 0 | 111.2 | L33 V34 Q39 E86 F87 R88 | L33-K41 WeakPolarHBondContact CA-O 3.45Å; V34-K41 PolarHBondContact N-O 3.17Å; V34-K41 WeakPolarHBondContact O-CB 3.44Å; V34-K41 PolarHBondContact O-N 2.81Å; Q39-K41 HydrophobicContact CB-CG 4.31Å; K41-E86 WeakPolarHBondContact CE-OE1 3.34Å; K41-E86 IonicContact NZ-OE1 3.02Å; K41-E86 PolarHBondContact NZ-OE1 3.44Å; K41-F87 CarbonylContact C-O 3.58Å; K41-F87 WeakPolarHBondContact CA-O 3.5Å; K41-R88 HydrophobicContact CG-CG 4.26Å |
| 42 | Y | 91.3 | Very high | 84.6 | Confident | 20 Ų | 20 | 66.6 Ų | 66.6 | 8% | 0.078 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 135.6 | 163.9 | 163.2 | -104.1 | 0 | 0 | 0 | 109.7 | I31 I75 Q79 L84 E86 F87 | I31-Y42 HydrophobicContact CB-CE2 4.47Å; I31-Y42 HydrophobicContact CD1-CE2 3.9Å; I31-Y42 HydrophobicContact CG1-CE2 4Å; I31-Y42 HydrophobicContact CG2-CD2 3.36Å; I31-Y42 HydrophobicContact CG2-CE2 3.65Å; Y42-I75 HydrophobicContact CD1-CD1 3.91Å; Y42-I75 HydrophobicContact CD1-CG2 4.34Å; Y42-I75 HydrophobicContact CD2-CD1 4.16Å; Y42-I75 HydrophobicContact CE1-CG2 4.25Å; Y42-I75 HydrophobicContact CG-CD1 3.56Å; Y42-Q79 PolarHBondContact OH-NE2 3.22Å; Y42-L84 HydrophobicContact CE1-CB 4.31Å; Y42-E86 CarbonylContact O-C 3.49Å; Y42-E86 WeakPolarHBondContact O-CA 3.47Å; Y42-F87 HydrophobicContact CD1-CB 4.03Å; Y42-F87 PolarHBondContact N-O 3.2Å; Y42-F87 PolarHBondContact O-N 3.08Å |
| 43 | G | 87.8 | Confident | 84.4 | Confident | 27 Ų | 27 | 60.8 Ų | 60.8 | 28% | 0.278 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 71 | -146.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | P45 | G43-P45 CarbonylContact C-O 3.56Å |
| 44 | G | 74.1 | Confident | 84.3 | Confident | 33 Ų | 33 | 59.2 Ų | 59.2 | 34% | 0.34 | 38% | 0.382 | S | S | . | . | S | Bend | trans | 76.2 | 50.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y85 | G44-Y85 PolarHBondContact N-O 3.03Š|
| 45 | P | 82.2 | Confident | 84 | Confident | 76 Ų | 76 | 59 Ų | 59 | 49% | 0.494 | 38% | 0.382 | S | S | . | . | S | Bend | cis | -93.3 | 162.3 | 5.8 | 35.8 | -35.8 | 0 | 0 | 0 | 113.6 | G43 W49 Y85 | G43-P45 CarbonylContact C-O 3.56Å; P45-W49 HydrophobicContact CB-CB 3.77Å; P45-W49 HydrophobicContact CB-CG 3.91Å; P45-Y85 HydrophobicContact CB-CE2 3.77Å |
| 46 | P | 83.3 | Confident | 83.7 | Confident | 9 Ų | 9 | 56.1 Ų | 56.1 | 6% | 0.058 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 158.2 | 175.6 | 31.9 | -33.4 | 0 | 0 | 0 | 111.1 | G48 W49 Y85 | P46-G48 PolarHBondContact O-N 2.9Å; P46-W49 HydrophobicContact CG-CB 4.03Å; P46-W49 HydrophobicContact CG-CD2 4.3Å; P46-W49 HydrophobicContact CG-CE3 3.74Å; P46-W49 HydrophobicContact CG-CG 4.45Å; P46-W49 VanDerWaalsContact O-CB 3.25Å; P46-W49 WeakPolarHBondContact O-CB 3.3Å; P46-W49 PolarHBondContact O-N 3.41Å; P46-W49 VanDerWaalsContact O-N 3.1Å; P46-Y85 WeakPolarHBondContact CD-O 3.33Å |
| 47 | P | 78.7 | Confident | 83.8 | Confident | 111 Ų | 111 | 54 Ų | 54 | 72% | 0.721 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 134.9 | 175.9 | -25.6 | 34.5 | 0 | 0 | 0 | 111.9 | W49 | P47-W49 VanDerWaalsContact C-N 3.3Å; P47-W49 PolarHBondContact O-N 3.17Å |
| 48 | G | 78.2 | Confident | 84.3 | Confident | 70 Ų | 70 | 48.9 Ų | 48.9 | 72% | 0.722 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 17.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | P46 V50 | P46-G48 PolarHBondContact O-N 2.9Å; G48-V50 PolarHBondContact O-N 3.49Å |
| 49 | W | 82.2 | Confident | 84.6 | Confident | 49 Ų | 49 | 48.8 Ų | 48.8 | 19% | 0.186 | 34% | 0.338 | C | S | . | . | trans | -74.3 | 124.9 | 171.5 | -172.4 | -90.9 | 0 | 0 | 0 | 111.5 | P45 P46 P47 G51 R83 Y85 | P45-W49 HydrophobicContact CB-CB 3.77Å; P45-W49 HydrophobicContact CB-CG 3.91Å; P46-W49 HydrophobicContact CG-CB 4.03Å; P46-W49 HydrophobicContact CG-CD2 4.3Å; P46-W49 HydrophobicContact CG-CE3 3.74Å; P46-W49 HydrophobicContact CG-CG 4.45Å; P46-W49 VanDerWaalsContact O-CB 3.25Å; P46-W49 WeakPolarHBondContact O-CB 3.3Å; P46-W49 PolarHBondContact O-N 3.41Å; P46-W49 VanDerWaalsContact O-N 3.1Å; P47-W49 VanDerWaalsContact C-N 3.3Å; P47-W49 PolarHBondContact O-N 3.17Å; W49-G51 PolarHBondContact NE1-O 2.97Å; W49-R83 HydrophobicContact CZ3-CG 4.23Å; W49-Y85 AromaticContact CD2-CD2 3.96Å; W49-Y85 HydrophobicContact CD2-CD2 3.96Å; W49-Y85 HydrophobicContact CD2-CE2 4.26Å; W49-Y85 AromaticContact CE2-CD2 3.74Å; W49-Y85 AromaticContact CE2-CE2 3.92Å; W49-Y85 HydrophobicContact CE3-CD2 4.28Å; W49-Y85 HydrophobicContact CG-CE2 4.4Å; W49-Y85 HydrophobicContact CH2-CD2 4.26Å; W49-Y85 AromaticContact CZ2-CD2 3.92Å; W49-Y85 HydrophobicContact CZ2-CD2 3.92Å; W49-Y85 HydrophobicContact CZ2-CE2 4.39Å; W49-Y85 HydrophobicContact CZ3-CD2 4.42Å; W49-Y85 AromaticContact NE1-CE2 3.81Å | ||
| 50 | V | 79.9 | Confident | 84.8 | Confident | 138 Ų | 138 | 46.4 Ų | 46.4 | 84% | 0.836 | 33% | 0.326 | S | S | * | . | trans | -119.7 | 122.9 | 173.8 | -176.9 | 0 | 0 | 0 | 0 | 107.6 | G48 | G48-V50 PolarHBondContact O-N 3.49Š| ||
| 51 | G | 79.2 | Confident | 84.9 | Confident | 58 Ų | 58 | 47.1 Ų | 47.1 | 60% | 0.598 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 123.2 | 177.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | W49 | W49-G51 PolarHBondContact NE1-O 2.97Š|
| 52 | S | 82.3 | Confident | 85.1 | Confident | 96 Ų | 96 | 45.9 Ų | 45.9 | 67% | 0.671 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 158.2 | -177.9 | 57.7 | 0 | 0 | 0 | 0 | 112.7 | ||
| 53 | P | 83.6 | Confident | 85.2 | Confident | 82 Ų | 82 | 45 Ų | 45 | 53% | 0.532 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -56 | 150.3 | 170.7 | -24.7 | 34.3 | 0 | 0 | 0 | 112.4 | ||
| 54 | P | 86.9 | Confident | 85.3 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 4% | 0.039 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 147.2 | 179.9 | -24.3 | 32.8 | 0 | 0 | 0 | 112.8 | Y85 R104 Y105 | P54-Y85 VanDerWaalsContact CG-CB 3.5Å; P54-Y85 HydrophobicContact CG-CD1 3.88Å; P54-Y85 HydrophobicContact CG-CD2 3.65Å; P54-Y85 HydrophobicContact CG-CE2 4.32Å; P54-Y85 HydrophobicContact CG-CG 3.38Å; P54-R104 HydrophobicContact CG-CG 4.47Å; P54-R104 PolarHBondContact O-NH2 2.94Å; P54-Y105 WeakPolarHBondContact CB-O 3.48Å; P54-Y105 WeakPolarHBondContact CG-O 3.25Å |
| 55 | P | 83.4 | Confident | 86.1 | Confident | 60 Ų | 60 | 48.5 Ų | 48.5 | 39% | 0.39 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 161.5 | -180 | 27.3 | -34.4 | 0 | 0 | 0 | 112.3 | S58 R108 | P55-S58 VanDerWaalsContact O-CB 3.31Å; P55-S58 WeakPolarHBondContact O-CB 3.35Å; P55-S58 PolarHBondContact O-N 2.88Å; P55-S58 PolarHBondContact O-OG 2.8Å; P55-R108 HydrophobicContact CG-CG 4.4Å |
| 56 | A | 81.5 | Confident | 86.3 | Confident | 48 Ų | 48 | 45.9 Ų | 45.9 | 40% | 0.397 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 145.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | S58 R108 | A56-S58 VanDerWaalsContact C-N 3.29Å; A56-R108 WeakPolarHBondContact O-CD 3.34Å; A56-R108 PolarHBondContact O-NH1 2.91Å |
| 57 | G | 85 | Confident | 86.4 | Confident | 22 Ų | 22 | 50.9 Ų | 50.9 | 23% | 0.227 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 12.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E59 E136 | G57-E59 VanDerWaalsContact C-N 3.3Å; G57-E136 PolarHBondContact N-OE1 3.24Å; G57-E136 PolarHBondContact N-OE2 2.64Å |
| 58 | S | 91.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -90.7 | 8.3 | 170.1 | -47.4 | 0 | 0 | 0 | 0 | 112.5 | P55 A56 R104 Y105 S107 R108 | P55-S58 VanDerWaalsContact O-CB 3.31Å; P55-S58 WeakPolarHBondContact O-CB 3.35Å; P55-S58 PolarHBondContact O-N 2.88Å; P55-S58 PolarHBondContact O-OG 2.8Å; A56-S58 VanDerWaalsContact C-N 3.29Å; S58-R104 WeakPolarHBondContact O-CA 3.19Å; S58-Y105 WeakPolarHBondContact CB-O 3.38Å; S58-Y105 PolarHBondContact O-N 3.21Å; S58-S107 VanDerWaalsContact OG-C 3.32Å; S58-R108 PolarHBondContact OG-N 3.36Å | ||
| 59 | E | 92.4 | Very high | 86.9 | Confident | 9 Ų | 9 | 44.2 Ų | 44.2 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 138.6 | 179 | -169.6 | -178.8 | 81.7 | 0 | 0 | 112 | G57 R88 Y102 A103 R104 S134 | G57-E59 VanDerWaalsContact C-N 3.3Å; E59-R88 VanDerWaalsContact CD-NH2 3.31Å; E59-R88 IonicContact OE1-NH2 2.82Å; E59-R88 PolarHBondContact OE1-NH2 2.67Å; E59-R88 IonicContact OE2-CZ 3.42Å; E59-R88 IonicContact OE2-NE 3.44Å; E59-R88 IonicContact OE2-NH2 3.15Å; E59-R88 PolarHBondContact OE2-NH2 3.48Å; E59-Y102 HydrophobicContact CG-CD1 4.43Å; E59-A103 CarbonylContact C-O 3.6Å; E59-A103 WeakPolarHBondContact CA-O 3.5Å; E59-R104 HydrophobicContact CB-CB 4.36Å; E59-R104 HydrophobicContact CB-CG 4.34Å; E59-R104 HydrophobicContact CG-CB 4.34Å; E59-S134 VanDerWaalsContact O-CB 3.25Å; E59-S134 WeakPolarHBondContact O-CB 3.4Å; E59-S134 PolarHBondContact O-N 3.09Å; E59-S134 VanDerWaalsContact O-N 3.14Å; E59-S134 WeakPolarHBondContact OE1-CB 3.28Å; E59-S134 PolarHBondContact OE1-OG 3.12Å |
| 60 | V | 94.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 144 | 172.4 | -57.3 | 0 | 0 | 0 | 0 | 110.8 | I62 F78 Y102 A103 Y105 A111 A114 I115 V131 C132 | V60-I62 HydrophobicContact CG2-CG1 4.3Å; V60-F78 HydrophobicContact CG2-CE1 4.14Å; V60-Y102 WeakPolarHBondContact O-CA 3.36Å; V60-A103 HydrophobicContact CG2-CB 3.83Å; V60-A103 WeakPolarHBondContact CG2-O 3.36Å; V60-A103 PolarHBondContact N-O 2.88Å; V60-A103 PolarHBondContact O-N 3.27Å; V60-A103 VanDerWaalsContact O-N 3.07Å; V60-Y105 HydrophobicContact CG2-CE2 4.07Å; V60-A111 HydrophobicContact CG1-CB 3.78Å; V60-A111 WeakPolarHBondContact CG1-O 3.45Å; V60-A114 HydrophobicContact CG1-CB 4.41Å; V60-I115 HydrophobicContact CG1-CD1 4.05Å; V60-I115 HydrophobicContact CG1-CG1 3.79Å; V60-V131 HydrophobicContact CB-CG1 4.09Å; V60-V131 HydrophobicContact CG2-CG1 4.13Å; V60-C132 CarbonylContact C-O 3.5Å; V60-C132 WeakPolarHBondContact CA-O 3.38Å |
| 61 | F | 94.3 | Very high | 88 | Confident | 49 Ų | 49 | 35.9 Ų | 35.9 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 137.1 | 167.1 | 171.1 | -92.9 | 0 | 0 | 0 | 109.2 | F100 Y102 L130 V131 C132 | F61-F100 HydrophobicContact CD2-CD2 4.44Å; F61-F100 HydrophobicContact CE2-CB 3.7Å; F61-F100 AromaticContact CE2-CD2 3.67Å; F61-F100 HydrophobicContact CE2-CD2 3.67Å; F61-F100 AromaticContact CE2-CG 3.95Å; F61-F100 HydrophobicContact CE2-CG 3.95Å; F61-F100 HydrophobicContact CZ-CB 3.77Å; F61-F100 HydrophobicContact CZ-CG 4.35Å; F61-Y102 HydrophobicContact CB-CD1 4.47Å; F61-Y102 HydrophobicContact CB-CE1 4.27Å; F61-Y102 HydrophobicContact CD2-CD1 4.4Å; F61-Y102 AromaticContact CD2-CE1 3.71Å; F61-Y102 HydrophobicContact CD2-CE1 3.71Å; F61-Y102 AromaticContact CD2-CZ 3.82Å; F61-Y102 HydrophobicContact CG-CE1 4.49Å; F61-L130 HydrophobicContact CE1-CD2 4.23Å; F61-V131 WeakPolarHBondContact O-CA 3.39Å; F61-C132 PolarHBondContact N-O 2.81Å; F61-C132 PolarHBondContact O-N 3.13Å |
| 62 | I | 95.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 111.8 | 179.8 | -50.2 | 162.5 | 0 | 0 | 0 | 106.8 | V60 L65 F78 F87 F100 A101 A103 L130 | V60-I62 HydrophobicContact CG2-CG1 4.3Å; I62-L65 HydrophobicContact CB-CD1 4.49Å; I62-L65 HydrophobicContact CG2-CD1 4.01Å; I62-L65 HydrophobicContact CG2-CD2 3.95Å; I62-L65 HydrophobicContact CG2-CG 4.01Å; I62-F78 HydrophobicContact CB-CZ 4.31Å; I62-F78 HydrophobicContact CD1-CD1 3.93Å; I62-F78 HydrophobicContact CD1-CD2 4.35Å; I62-F78 HydrophobicContact CD1-CE1 3.34Å; I62-F78 HydrophobicContact CD1-CE2 3.79Å; I62-F78 HydrophobicContact CD1-CG 4.43Å; I62-F78 HydrophobicContact CD1-CZ 3.27Å; I62-F78 HydrophobicContact CG1-CE1 3.6Å; I62-F78 HydrophobicContact CG1-CE2 4.39Å; I62-F78 HydrophobicContact CG1-CZ 3.48Å; I62-F78 VanDerWaalsContact CG1-CZ 3.48Å; I62-F78 HydrophobicContact CG2-CE2 4.35Å; I62-F78 HydrophobicContact CG2-CZ 3.85Å; I62-F87 HydrophobicContact CD1-CE2 3.64Å; I62-F87 HydrophobicContact CD1-CZ 4.16Å; I62-F100 CarbonylContact O-C 3.6Å; I62-F100 WeakPolarHBondContact O-CA 3.37Å; I62-F100 WeakPolarHBondContact O-CB 3.47Å; I62-A101 HydrophobicContact CB-CB 4.24Å; I62-A101 HydrophobicContact CD1-CB 4.14Å; I62-A101 PolarHBondContact N-O 3.44Å; I62-A101 PolarHBondContact O-N 3.32Å; I62-A103 HydrophobicContact CD1-CB 3.86Å; I62-L130 CarbonylContact C-O 3.58Å; I62-L130 VanDerWaalsContact CA-O 3.3Å; I62-L130 WeakPolarHBondContact CA-O 3.34Å |
| 63 | G | 93.1 | Very high | 89.1 | Confident | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | -179.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | L65 L130 | G63-L65 PolarHBondContact O-N 3.14Å; G63-L130 PolarHBondContact N-O 2.96Å; G63-L130 PolarHBondContact O-N 3.23Å |
| 64 | R | 89.8 | Confident | 89.6 | Confident | 125 Ų | 125 | 29.1 Ų | 29.1 | 47% | 0.472 | 15% | 0.153 | S | C | . | . | S | Bend | trans | 54.7 | 33.9 | -171.7 | -56.7 | -171.1 | -63.5 | -168.3 | -6 | 111.8 | G99 N120 P128 L129 L130 | R64-G99 PolarHBondContact N-O 2.94Å; R64-N120 PolarHBondContact NH2-OD1 2.86Å; R64-P128 VanDerWaalsContact CZ-O 3.31Å; R64-P128 PolarHBondContact NE-O 3.38Å; R64-P128 PolarHBondContact NH2-O 3.13Å; R64-L129 PolarHBondContact NH2-O 2.97Å; R64-L129 VanDerWaalsContact NH2-O 3.08Å; R64-L130 HydrophobicContact CB-CB 4.44Å; R64-L130 HydrophobicContact CG-CB 4.05Å |
| 65 | L | 90.2 | Very high | 90 | Very high | 9 Ų | 9 | 28.8 Ų | 28.8 | 5% | 0.047 | 15% | 0.151 | C | C | . | . | trans | -76.2 | 131.5 | 172.6 | -70 | 171.1 | 0 | 0 | 0 | 108.8 | I62 G63 L74 L89 G99 A101 L123 L129 | I62-L65 HydrophobicContact CB-CD1 4.49Å; I62-L65 HydrophobicContact CG2-CD1 4.01Å; I62-L65 HydrophobicContact CG2-CD2 3.95Å; I62-L65 HydrophobicContact CG2-CG 4.01Å; G63-L65 PolarHBondContact O-N 3.14Å; L65-L74 HydrophobicContact CD1-CD1 4Å; L65-L74 HydrophobicContact CD2-CD1 3.97Å; L65-L74 HydrophobicContact CD2-CD2 3.65Å; L65-L74 HydrophobicContact CD2-CG 4.48Å; L65-L89 HydrophobicContact CD1-CD1 4.19Å; L65-G99 PolarHBondContact N-O 3.24Å; L65-G99 VanDerWaalsContact O-CA 3.27Å; L65-G99 WeakPolarHBondContact O-CA 3.49Å; L65-A101 HydrophobicContact CD1-CB 3.64Å; L65-L123 HydrophobicContact CD2-CD2 4.37Å; L65-L129 HydrophobicContact CD2-CD2 3.47Å; L65-L129 VanDerWaalsContact CD2-CD2 3.47Å; L65-L129 HydrophobicContact CG-CD2 4.46Å | ||
| 66 | P | 86.6 | Confident | 90.6 | Very high | 20 Ų | 20 | 27.7 Ų | 27.7 | 13% | 0.13 | 14% | 0.144 | C | C | . | . | trans | -61.4 | 141.9 | 165.3 | -22.8 | 34.8 | 0 | 0 | 0 | 111.1 | D68 V69 N97 C127 | P66-D68 WeakPolarHBondContact CB-OD1 3.41Å; P66-D68 PolarHBondContact O-N 3.27Å; P66-D68 VanDerWaalsContact O-N 3.17Å; P66-V69 HydrophobicContact CB-CG2 3.96Å; P66-V69 HydrophobicContact CG-CG2 4.13Å; P66-V69 PolarHBondContact O-N 2.97Å; P66-N97 PolarHBondContact O-ND2 2.93Å; P66-C127 HydrophobicContact CG-CB 4.29Å | ||
| 67 | Q | 85.8 | Confident | 91.2 | Very high | 114 Ų | 114 | 26.2 Ų | 26.2 | 53% | 0.533 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -17.2 | -170.4 | -69 | -175 | -22.2 | 0 | 0 | 115.2 | N97 | Q67-N97 WeakPolarHBondContact CA-ND2 3.28Å; Q67-N97 PolarHBondContact O-N 2.79Å; Q67-N97 PolarHBondContact O-ND2 3.43Å |
| 68 | D | 81.2 | Confident | 91.8 | Very high | 40 Ų | 40 | 25.1 Ų | 25.1 | 21% | 0.214 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -1.9 | -174.6 | 65.5 | -42.7 | 0 | 0 | 0 | 112 | N15 P66 R124 | N15-D68 HydrophobicContact CB-CB 4.5Å; N15-D68 WeakPolarHBondContact ND2-CA 3.37Å; N15-D68 WeakPolarHBondContact ND2-CB 3.46Å; N15-D68 PolarHBondContact ND2-O 2.77Å; P66-D68 WeakPolarHBondContact CB-OD1 3.41Å; P66-D68 PolarHBondContact O-N 3.27Å; P66-D68 VanDerWaalsContact O-N 3.17Å; D68-R124 IonicContact OD1-CZ 2.64Å; D68-R124 IonicContact OD1-NH1 3.52Å; D68-R124 IonicContact OD1-NH2 2.68Å; D68-R124 PolarHBondContact OD1-NH2 3.42Å; D68-R124 IonicContact OD2-CZ 2.77Å; D68-R124 VanDerWaalsContact OD2-CZ 3.29Å; D68-R124 IonicContact OD2-NH1 2.8Å; D68-R124 PolarHBondContact OD2-NH1 2.64Å; D68-R124 IonicContact OD2-NH2 2.67Å; D68-R124 PolarHBondContact OD2-NH2 3.47Å |
| 69 | V | 87.1 | Confident | 91.9 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | trans | -86.6 | 139 | 174.6 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | P66 Q73 L74 N97 L123 | P66-V69 HydrophobicContact CB-CG2 3.96Å; P66-V69 HydrophobicContact CG-CG2 4.13Å; P66-V69 PolarHBondContact O-N 2.97Å; V69-Q73 HydrophobicContact CG1-CB 4.37Å; V69-L74 HydrophobicContact CG1-CD1 3.84Å; V69-L74 HydrophobicContact CG1-CD2 3.81Å; V69-L74 HydrophobicContact CG1-CG 3.62Å; V69-N97 PolarHBondContact O-ND2 3.32Å; V69-L123 HydrophobicContact CB-CD2 4.23Å; V69-L123 HydrophobicContact CG1-CD2 3.74Å; V69-L123 HydrophobicContact CG2-CD2 3.71Å | ||
| 70 | Y | 91 | Very high | 92.1 | Very high | 13 Ų | 13 | 38.4 Ų | 38.4 | 5% | 0.051 | 17% | 0.171 | C | C | . | . | trans | -126.1 | -178.3 | 178.2 | -58.3 | -56.6 | 0 | 0 | 0 | 113.1 | N18 L22 H72 Q73 L74 L89 M91 G95 | N18-Y70 HydrophobicContact CB-CD2 3.83Å; N18-Y70 HydrophobicContact CB-CE2 3.98Å; L22-Y70 HydrophobicContact CD2-CG 4.26Å; Y70-H72 VanDerWaalsContact C-N 3.27Å; Y70-H72 PolarHBondContact O-N 3.41Å; Y70-Q73 PolarHBondContact O-N 3.37Å; Y70-L74 PolarHBondContact O-N 2.91Å; Y70-L89 HydrophobicContact CD1-CD2 4.14Å; Y70-M91 HydrophobicContact CD1-CE 4.44Å; Y70-M91 HydrophobicContact CE1-CE 4.02Å; Y70-G95 PolarHBondContact OH-O 3.33Å | ||
| 71 | E | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.5 | -30.7 | -172.6 | -65.6 | 90 | 164.8 | 0 | 0 | 114.3 | L22 W25 L33 R40 Q73 L74 I75 F87 L89 | L22-E71 HydrophobicContact CD1-CB 4.06Å; W25-E71 HydrophobicContact CZ3-CB 4.45Å; L33-E71 HydrophobicContact CD1-CB 4.3Å; L33-E71 HydrophobicContact CD1-CG 4.43Å; R40-E71 VanDerWaalsContact CB-OE1 3.27Å; R40-E71 WeakPolarHBondContact CB-OE1 3.41Å; R40-E71 WeakPolarHBondContact CD-OE1 3.28Å; R40-E71 WeakPolarHBondContact CG-OE1 3.48Å; R40-E71 IonicContact NE-OE1 2.7Å; R40-E71 IonicContact NH1-OE1 2.67Å; R40-E71 IonicContact NH1-OE2 3.52Å; R40-E71 PolarHBondContact NH1-OE2 3.49Å; E71-Q73 PolarHBondContact O-N 2.84Å; E71-L74 PolarHBondContact O-N 3.43Å; E71-I75 HydrophobicContact CB-CD1 3.7Å; E71-I75 HydrophobicContact CB-CG1 4.06Å; E71-I75 HydrophobicContact CG-CD1 4.12Å; E71-I75 WeakPolarHBondContact O-CB 3.16Å; E71-I75 PolarHBondContact O-N 3.35Å; E71-F87 HydrophobicContact CG-CD1 4.35Å; E71-F87 HydrophobicContact CG-CE1 4.29Å; E71-L89 HydrophobicContact CG-CB 4.32Å; E71-L89 HydrophobicContact CG-CD2 4.25Å; E71-L89 VanDerWaalsContact OE1-CB 3.32Å; E71-L89 WeakPolarHBondContact OE1-CB 3.31Å; E71-L89 WeakPolarHBondContact OE1-CD2 3.46Å |
| 72 | H | 92.5 | Very high | 92.1 | Very high | 28 Ų | 28 | 38.8 Ų | 38.8 | 13% | 0.13 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.7 | -28.2 | 178.5 | 69.9 | -77 | 0 | 0 | 0 | 113.4 | N18 L22 W25 Y70 P76 | N18-H72 PolarHBondContact O-CE1 3.1Å; L22-H72 HydrophobicContact CD1-CB 4.07Å; W25-H72 HydrophobicContact CB-CB 3.66Å; W25-H72 HydrophobicContact CD2-CB 3.74Å; W25-H72 HydrophobicContact CE3-CB 3.99Å; W25-H72 HydrophobicContact CG-CB 3.6Å; Y70-H72 VanDerWaalsContact C-N 3.27Å; Y70-H72 PolarHBondContact O-N 3.41Å; H72-P76 VanDerWaalsContact O-CD 3.23Å; H72-P76 WeakPolarHBondContact O-CD 3.31Å; H72-P76 VanDerWaalsContact O-CG 3.25Å; H72-P76 WeakPolarHBondContact O-CG 3.08Å |
| 73 | Q | 92.2 | Very high | 91.9 | Very high | 65 Ų | 65 | 45.3 Ų | 45.3 | 30% | 0.304 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -91.1 | -41 | 173.2 | -76.7 | 170.2 | 65.5 | 0 | 0 | 111.8 | N18 V69 Y70 E71 L77 | N18-Q73 PolarHBondContact OD1-NE2 2.89Å; V69-Q73 HydrophobicContact CG1-CB 4.37Å; Y70-Q73 PolarHBondContact O-N 3.37Å; E71-Q73 PolarHBondContact O-N 2.84Å; Q73-L77 WeakPolarHBondContact O-CB 3.46Å; Q73-L77 PolarHBondContact O-N 3.47Å |
| 74 | L | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -76.8 | -44.4 | -172 | -62.9 | 175.2 | 0 | 0 | 0 | 113.1 | L65 V69 Y70 E71 L77 F78 F87 L89 L123 | L65-L74 HydrophobicContact CD1-CD1 4Å; L65-L74 HydrophobicContact CD2-CD1 3.97Å; L65-L74 HydrophobicContact CD2-CD2 3.65Å; L65-L74 HydrophobicContact CD2-CG 4.48Å; V69-L74 HydrophobicContact CG1-CD1 3.84Å; V69-L74 HydrophobicContact CG1-CD2 3.81Å; V69-L74 HydrophobicContact CG1-CG 3.62Å; Y70-L74 PolarHBondContact O-N 2.91Å; E71-L74 PolarHBondContact O-N 3.43Å; L74-L77 PolarHBondContact O-N 3.48Å; L74-F78 VanDerWaalsContact O-CD2 3.25Å; L74-F78 WeakPolarHBondContact O-CD2 3.39Å; L74-F78 PolarHBondContact O-N 2.92Å; L74-F87 HydrophobicContact CB-CE1 4.28Å; L74-F87 HydrophobicContact CB-CE2 4.21Å; L74-F87 HydrophobicContact CB-CZ 3.62Å; L74-F87 HydrophobicContact CD1-CE1 4.4Å; L74-F87 HydrophobicContact CD1-CZ 3.93Å; L74-F87 HydrophobicContact CG-CZ 4.4Å; L74-L89 HydrophobicContact CD1-CD1 4.19Å; L74-L123 HydrophobicContact CD2-CD2 4.06Å |
| 75 | I | 95 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.3 | -50.4 | -176.7 | -69.3 | 178.3 | 0 | 0 | 0 | 110.8 | W25 L33 Y42 E71 L77 F78 Q79 L84 F87 | W25-I75 HydrophobicContact CH2-CB 4.03Å; W25-I75 HydrophobicContact CH2-CD1 3.83Å; W25-I75 HydrophobicContact CH2-CG1 4.49Å; W25-I75 HydrophobicContact CH2-CG2 4.07Å; W25-I75 HydrophobicContact CZ2-CB 4.22Å; W25-I75 HydrophobicContact CZ2-CG2 4.14Å; W25-I75 HydrophobicContact CZ3-CD1 4.4Å; L33-I75 HydrophobicContact CD2-CD1 4.43Å; Y42-I75 HydrophobicContact CD1-CD1 3.91Å; Y42-I75 HydrophobicContact CD1-CG2 4.34Å; Y42-I75 HydrophobicContact CD2-CD1 4.16Å; Y42-I75 HydrophobicContact CE1-CG2 4.25Å; Y42-I75 HydrophobicContact CG-CD1 3.56Å; E71-I75 HydrophobicContact CB-CD1 3.7Å; E71-I75 HydrophobicContact CB-CG1 4.06Å; E71-I75 HydrophobicContact CG-CD1 4.12Å; E71-I75 WeakPolarHBondContact O-CB 3.16Å; E71-I75 PolarHBondContact O-N 3.35Å; I75-L77 VanDerWaalsContact C-N 3.31Å; I75-L77 PolarHBondContact O-N 2.94Å; I75-F78 PolarHBondContact O-N 2.87Å; I75-Q79 HydrophobicContact CG2-CG 4.12Å; I75-Q79 WeakPolarHBondContact O-CB 3.35Å; I75-Q79 VanDerWaalsContact O-CG 3.27Å; I75-Q79 WeakPolarHBondContact O-CG 3.49Å; I75-Q79 PolarHBondContact O-N 2.92Å; I75-L84 HydrophobicContact CG2-CD1 4.32Å; I75-F87 HydrophobicContact CD1-CB 4.35Å; I75-F87 HydrophobicContact CD1-CD1 4.26Å; I75-F87 HydrophobicContact CD1-CG 4.41Å; I75-F87 HydrophobicContact CG1-CB 4.16Å; I75-F87 HydrophobicContact CG1-CD1 3.89Å; I75-F87 HydrophobicContact CG1-CD2 4.3Å; I75-F87 HydrophobicContact CG1-CE1 4.38Å; I75-F87 HydrophobicContact CG1-CG 3.86Å |
| 76 | P | 94.6 | Very high | 92.3 | Very high | 37 Ų | 37 | 40.6 Ų | 40.6 | 24% | 0.24 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.1 | -39.5 | 177 | -27 | 38 | 0 | 0 | 0 | 112.9 | W25 H72 F78 Q79 R80 | W25-P76 HydrophobicContact CZ2-CG 4.18Å; H72-P76 VanDerWaalsContact O-CD 3.23Å; H72-P76 WeakPolarHBondContact O-CD 3.31Å; H72-P76 VanDerWaalsContact O-CG 3.25Å; H72-P76 WeakPolarHBondContact O-CG 3.08Å; P76-F78 PolarHBondContact O-N 3.39Å; P76-Q79 PolarHBondContact O-N 2.93Å; P76-R80 WeakPolarHBondContact O-CG 3.09Å; P76-R80 PolarHBondContact O-N 2.7Å; P76-R80 VanDerWaalsContact O-N 3.16Å |
| 77 | L | 95.1 | Very high | 92.7 | Very high | 16 Ų | 16 | 39.7 Ų | 39.7 | 8% | 0.084 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.6 | -46.8 | 177.7 | 178.4 | 64.2 | 0 | 0 | 0 | 111.9 | Q73 L74 I75 R80 L118 L123 L129 | Q73-L77 WeakPolarHBondContact O-CB 3.46Å; Q73-L77 PolarHBondContact O-N 3.47Å; L74-L77 PolarHBondContact O-N 3.48Å; I75-L77 VanDerWaalsContact C-N 3.31Å; I75-L77 PolarHBondContact O-N 2.94Å; L77-R80 PolarHBondContact O-N 3.44Å; L77-L118 HydrophobicContact CD1-CD2 3.88Å; L77-L118 HydrophobicContact CD2-CD2 4.49Å; L77-L118 HydrophobicContact CG-CD2 4Å; L77-L123 HydrophobicContact CD2-CD1 4.22Å; L77-L129 HydrophobicContact CD2-CD1 3.91Å |
| 78 | F | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -75.3 | -30.2 | -180 | -80 | -105.6 | 0 | 0 | 0 | 112.2 | V60 I62 L74 I75 P76 R80 V81 G82 L84 F87 A103 Y105 L118 L129 V131 | V60-F78 HydrophobicContact CG2-CE1 4.14Å; I62-F78 HydrophobicContact CB-CZ 4.31Å; I62-F78 HydrophobicContact CD1-CD1 3.93Å; I62-F78 HydrophobicContact CD1-CD2 4.35Å; I62-F78 HydrophobicContact CD1-CE1 3.34Å; I62-F78 HydrophobicContact CD1-CE2 3.79Å; I62-F78 HydrophobicContact CD1-CG 4.43Å; I62-F78 HydrophobicContact CD1-CZ 3.27Å; I62-F78 HydrophobicContact CG1-CE1 3.6Å; I62-F78 HydrophobicContact CG1-CE2 4.39Å; I62-F78 HydrophobicContact CG1-CZ 3.48Å; I62-F78 VanDerWaalsContact CG1-CZ 3.48Å; I62-F78 HydrophobicContact CG2-CE2 4.35Å; I62-F78 HydrophobicContact CG2-CZ 3.85Å; L74-F78 VanDerWaalsContact O-CD2 3.25Å; L74-F78 WeakPolarHBondContact O-CD2 3.39Å; L74-F78 PolarHBondContact O-N 2.92Å; I75-F78 PolarHBondContact O-N 2.87Å; P76-F78 PolarHBondContact O-N 3.39Å; F78-R80 VanDerWaalsContact C-N 3.28Å; F78-R80 PolarHBondContact O-N 3.34Å; F78-V81 PolarHBondContact O-N 2.93Å; F78-G82 PolarHBondContact O-N 3.43Å; F78-L84 HydrophobicContact CB-CD1 3.97Å; F78-L84 HydrophobicContact CB-CD2 4.26Å; F78-F87 HydrophobicContact CD2-CE2 4.46Å; F78-A103 HydrophobicContact CD1-CB 3.9Å; F78-A103 HydrophobicContact CE1-CB 4.43Å; F78-Y105 HydrophobicContact CD1-CE2 4.43Å; F78-Y105 VanDerWaalsContact CD1-OH 3.28Å; F78-Y105 WeakPolarHBondContact CD1-OH 3.39Å; F78-Y105 PolarHBondContact O-OH 3.34Å; F78-Y105 VanDerWaalsContact O-OH 3.07Å; F78-L118 HydrophobicContact CB-CD1 4.46Å; F78-L118 HydrophobicContact CD1-CD1 3.65Å; F78-L118 HydrophobicContact CD2-CD1 3.97Å; F78-L118 HydrophobicContact CE1-CD1 3.67Å; F78-L118 HydrophobicContact CE2-CD1 4.04Å; F78-L118 HydrophobicContact CG-CD1 3.78Å; F78-L118 HydrophobicContact CZ-CD1 3.86Å; F78-L129 HydrophobicContact CE2-CD1 4.32Å; F78-V131 HydrophobicContact CE1-CG1 4.35Å; F78-V131 HydrophobicContact CE1-CG2 4.33Å; F78-V131 HydrophobicContact CZ-CG2 3.96Å |
| 79 | Q | 95 | Very high | 93.7 | Very high | 75 Ų | 75 | 32.9 Ų | 32.9 | 35% | 0.35 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -64.6 | -28.9 | 173.7 | -77.8 | 177.5 | -36.7 | 0 | 0 | 113.3 | Y42 I75 P76 V81 G82 L84 | Y42-Q79 PolarHBondContact OH-NE2 3.22Å; I75-Q79 HydrophobicContact CG2-CG 4.12Å; I75-Q79 WeakPolarHBondContact O-CB 3.35Å; I75-Q79 VanDerWaalsContact O-CG 3.27Å; I75-Q79 WeakPolarHBondContact O-CG 3.49Å; I75-Q79 PolarHBondContact O-N 2.92Å; P76-Q79 PolarHBondContact O-N 2.93Å; Q79-V81 PolarHBondContact O-N 2.92Å; Q79-G82 WeakPolarHBondContact CA-O 2.84Å; Q79-G82 PolarHBondContact O-N 3.08Å; Q79-L84 HydrophobicContact CG-CB 4.45Å; Q79-L84 HydrophobicContact CG-CD1 3.76Å; Q79-L84 HydrophobicContact CG-CG 4.02Å |
| 80 | R | 95.2 | Very high | 94 | Very high | 212 Ų | 212 | 33.8 Ų | 33.8 | 80% | 0.8 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -29 | 174.8 | -71.6 | 171 | -175.3 | -170.7 | 0.7 | 113 | P76 L77 F78 | P76-R80 WeakPolarHBondContact O-CG 3.09Å; P76-R80 PolarHBondContact O-N 2.7Å; P76-R80 VanDerWaalsContact O-N 3.16Å; L77-R80 PolarHBondContact O-N 3.44Å; F78-R80 VanDerWaalsContact C-N 3.28Å; F78-R80 PolarHBondContact O-N 3.34Å |
| 81 | V | 95.8 | Very high | 93.8 | Very high | 37 Ų | 37 | 33.1 Ų | 33.1 | 22% | 0.224 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -33.3 | 179.8 | -176.3 | 0 | 0 | 0 | 0 | 112 | F78 Q79 A113 A114 T117 L118 | F78-V81 PolarHBondContact O-N 2.93Å; Q79-V81 PolarHBondContact O-N 2.92Å; V81-A113 HydrophobicContact CG1-CB 3.71Å; V81-A114 HydrophobicContact CG1-CB 4.18Å; V81-T117 HydrophobicContact CG2-CG2 4.25Å; V81-L118 HydrophobicContact CG2-CD1 3.72Å; V81-L118 HydrophobicContact CG2-CD2 4.18Å; V81-L118 HydrophobicContact CG2-CG 3.82Å |
| 82 | G | 93.4 | Very high | 93.3 | Very high | 20 Ų | 20 | 34.9 Ų | 34.9 | 21% | 0.206 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 179 | 170.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F78 Q79 L84 Y105 | F78-G82 PolarHBondContact O-N 3.43Å; Q79-G82 WeakPolarHBondContact CA-O 2.84Å; Q79-G82 PolarHBondContact O-N 3.08Å; G82-L84 PolarHBondContact O-N 3Å; G82-L84 VanDerWaalsContact O-N 3.13Å; G82-Y105 WeakPolarHBondContact O-CE1 3.33Å |
| 83 | R | 92.6 | Very high | 92.5 | Very high | 137 Ų | 137 | 42.7 Ų | 42.7 | 52% | 0.517 | 20% | 0.195 | S | C | . | . | trans | -65.6 | 114.2 | -179.2 | -170.5 | 174.5 | -176.7 | -170.4 | 3.1 | 110.9 | W49 S106 | W49-R83 HydrophobicContact CZ3-CG 4.23Å; R83-S106 PolarHBondContact O-N 2.84Å; R83-S106 PolarHBondContact O-OG 2.99Å | ||
| 84 | L | 94.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 136.1 | 172.9 | -68 | -179.5 | 0 | 0 | 0 | 111 | Y42 I75 F78 Q79 G82 F87 A103 Y105 | Y42-L84 HydrophobicContact CE1-CB 4.31Å; I75-L84 HydrophobicContact CG2-CD1 4.32Å; F78-L84 HydrophobicContact CB-CD1 3.97Å; F78-L84 HydrophobicContact CB-CD2 4.26Å; Q79-L84 HydrophobicContact CG-CB 4.45Å; Q79-L84 HydrophobicContact CG-CD1 3.76Å; Q79-L84 HydrophobicContact CG-CG 4.02Å; G82-L84 PolarHBondContact O-N 3Å; G82-L84 VanDerWaalsContact O-N 3.13Å; L84-F87 HydrophobicContact CD1-CD2 4.34Å; L84-A103 HydrophobicContact CD2-CB 3.99Å; L84-Y105 HydrophobicContact CD2-CD1 3.85Å; L84-Y105 HydrophobicContact CD2-CD2 4.28Å; L84-Y105 HydrophobicContact CD2-CE1 3.57Å; L84-Y105 HydrophobicContact CD2-CE2 4.04Å; L84-Y105 HydrophobicContact CD2-CG 4.21Å; L84-Y105 HydrophobicContact CG-CE1 4.4Å |
| 85 | Y | 93.3 | Very high | 90.4 | Very high | 24 Ų | 24 | 41.9 Ų | 41.9 | 9% | 0.094 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -42.3 | 170.7 | 176.9 | -95 | 0 | 0 | 0 | 111.4 | G44 P45 P46 W49 P54 R104 | G44-Y85 PolarHBondContact N-O 3.03Å; P45-Y85 HydrophobicContact CB-CE2 3.77Å; P46-Y85 WeakPolarHBondContact CD-O 3.33Å; W49-Y85 AromaticContact CD2-CD2 3.96Å; W49-Y85 HydrophobicContact CD2-CD2 3.96Å; W49-Y85 HydrophobicContact CD2-CE2 4.26Å; W49-Y85 AromaticContact CE2-CD2 3.74Å; W49-Y85 AromaticContact CE2-CE2 3.92Å; W49-Y85 HydrophobicContact CE3-CD2 4.28Å; W49-Y85 HydrophobicContact CG-CE2 4.4Å; W49-Y85 HydrophobicContact CH2-CD2 4.26Å; W49-Y85 AromaticContact CZ2-CD2 3.92Å; W49-Y85 HydrophobicContact CZ2-CD2 3.92Å; W49-Y85 HydrophobicContact CZ2-CE2 4.39Å; W49-Y85 HydrophobicContact CZ3-CD2 4.42Å; W49-Y85 AromaticContact NE1-CE2 3.81Å; P54-Y85 VanDerWaalsContact CG-CB 3.5Å; P54-Y85 HydrophobicContact CG-CD1 3.88Å; P54-Y85 HydrophobicContact CG-CD2 3.65Å; P54-Y85 HydrophobicContact CG-CE2 4.32Å; P54-Y85 HydrophobicContact CG-CG 3.38Å; Y85-R104 WeakPolarHBondContact CB-O 3.27Å; Y85-R104 HydrophobicContact CD1-CG 4.43Å; Y85-R104 PolarHBondContact N-O 2.83Å |
| 86 | E | 92.9 | Very high | 89.8 | Confident | 11 Ų | 11 | 42.3 Ų | 42.3 | 5% | 0.051 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 138.8 | 179.9 | -175 | -179 | -151.1 | 0 | 0 | 109 | K41 Y42 R88 R104 | K41-E86 WeakPolarHBondContact CE-OE1 3.34Å; K41-E86 IonicContact NZ-OE1 3.02Å; K41-E86 PolarHBondContact NZ-OE1 3.44Å; Y42-E86 CarbonylContact O-C 3.49Å; Y42-E86 WeakPolarHBondContact O-CA 3.47Å; E86-R88 HydrophobicContact CG-CG 3.98Å; E86-R104 HydrophobicContact CB-CB 4.17Å; E86-R104 PolarHBondContact N-O 3.06Å; E86-R104 PolarHBondContact O-N 3.26Å |
| 87 | F | 95 | Very high | 89.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 134.8 | 170.3 | -173.2 | -82.7 | 0 | 0 | 0 | 109.1 | K41 Y42 I62 E71 L74 I75 F78 L84 L89 A101 Y102 A103 | K41-F87 CarbonylContact C-O 3.58Å; K41-F87 WeakPolarHBondContact CA-O 3.5Å; Y42-F87 HydrophobicContact CD1-CB 4.03Å; Y42-F87 PolarHBondContact N-O 3.2Å; Y42-F87 PolarHBondContact O-N 3.08Å; I62-F87 HydrophobicContact CD1-CE2 3.64Å; I62-F87 HydrophobicContact CD1-CZ 4.16Å; E71-F87 HydrophobicContact CG-CD1 4.35Å; E71-F87 HydrophobicContact CG-CE1 4.29Å; L74-F87 HydrophobicContact CB-CE1 4.28Å; L74-F87 HydrophobicContact CB-CE2 4.21Å; L74-F87 HydrophobicContact CB-CZ 3.62Å; L74-F87 HydrophobicContact CD1-CE1 4.4Å; L74-F87 HydrophobicContact CD1-CZ 3.93Å; L74-F87 HydrophobicContact CG-CZ 4.4Å; I75-F87 HydrophobicContact CD1-CB 4.35Å; I75-F87 HydrophobicContact CD1-CD1 4.26Å; I75-F87 HydrophobicContact CD1-CG 4.41Å; I75-F87 HydrophobicContact CG1-CB 4.16Å; I75-F87 HydrophobicContact CG1-CD1 3.89Å; I75-F87 HydrophobicContact CG1-CD2 4.3Å; I75-F87 HydrophobicContact CG1-CE1 4.38Å; I75-F87 HydrophobicContact CG1-CG 3.86Å; F78-F87 HydrophobicContact CD2-CE2 4.46Å; L84-F87 HydrophobicContact CD1-CD2 4.34Å; F87-L89 HydrophobicContact CE1-CB 4.22Å; F87-A101 HydrophobicContact CE1-CB 4.1Å; F87-A101 HydrophobicContact CZ-CB 3.76Å; F87-Y102 CarbonylContact C-O 3.59Å; F87-Y102 WeakPolarHBondContact CA-O 3.5Å; F87-A103 HydrophobicContact CD2-CB 3.74Å; F87-A103 HydrophobicContact CE2-CB 4.11Å |
| 88 | R | 93.9 | Very high | 89.2 | Confident | 12 Ų | 12 | 45 Ų | 45 | 5% | 0.045 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 109.2 | -175.1 | -56.8 | -176.5 | -72 | 111.8 | -0.4 | 109.6 | R40 K41 E59 E86 A101 Y102 | R40-R88 WeakPolarHBondContact O-CA 3.42Å; K41-R88 HydrophobicContact CG-CG 4.26Å; E59-R88 VanDerWaalsContact CD-NH2 3.31Å; E59-R88 IonicContact OE1-NH2 2.82Å; E59-R88 PolarHBondContact OE1-NH2 2.67Å; E59-R88 IonicContact OE2-CZ 3.42Å; E59-R88 IonicContact OE2-NE 3.44Å; E59-R88 IonicContact OE2-NH2 3.15Å; E59-R88 PolarHBondContact OE2-NH2 3.48Å; E86-R88 HydrophobicContact CG-CG 3.98Å; R88-A101 CarbonylContact O-C 3.43Å; R88-A101 VanDerWaalsContact O-CA 3.23Å; R88-A101 WeakPolarHBondContact O-CA 3.44Å; R88-A101 WeakPolarHBondContact O-CB 3.47Å; R88-Y102 PolarHBondContact N-O 3.21Å; R88-Y102 VanDerWaalsContact NH2-CB 3.33Å; R88-Y102 VanDerWaalsContact NH2-CG 3.27Å; R88-Y102 PolarHBondContact O-N 3.18Å |
| 89 | L | 94.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 128 | 170.5 | -171.1 | 58.7 | 0 | 0 | 0 | 109.3 | Q39 R40 L65 Y70 E71 L74 F87 M91 N97 A101 | Q39-L89 CarbonylContact C-O 3.47Å; Q39-L89 WeakPolarHBondContact CA-O 3.31Å; R40-L89 PolarHBondContact N-O 3.41Å; R40-L89 PolarHBondContact O-N 3.27Å; L65-L89 HydrophobicContact CD1-CD1 4.19Å; Y70-L89 HydrophobicContact CD1-CD2 4.14Å; E71-L89 HydrophobicContact CG-CB 4.32Å; E71-L89 HydrophobicContact CG-CD2 4.25Å; E71-L89 VanDerWaalsContact OE1-CB 3.32Å; E71-L89 WeakPolarHBondContact OE1-CB 3.31Å; E71-L89 WeakPolarHBondContact OE1-CD2 3.46Å; L74-L89 HydrophobicContact CD1-CD1 4.19Å; F87-L89 HydrophobicContact CE1-CB 4.22Å; L89-M91 HydrophobicContact CB-SD 4.31Å; L89-M91 HydrophobicContact CD2-SD 3.72Å; L89-M91 HydrophobicContact CG-SD 3.71Å; L89-N97 HydrophobicContact CD1-CB 3.78Å; L89-N97 HydrophobicContact CD2-CB 4.02Å; L89-N97 HydrophobicContact CG-CB 3.88Å; L89-A101 HydrophobicContact CD1-CB 3.84Å |
| 90 | M | 92.5 | Very high | 88.8 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 9% | 0.094 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 124 | 179.5 | -59.2 | -60.6 | -62.6 | 0 | 0 | 109.2 | Q39 N97 R98 F100 Y102 | Q39-M90 HydrophobicContact CB-SD 4.21Å; Q39-M90 HydrophobicContact CG-CE 3.71Å; Q39-M90 HydrophobicContact CG-SD 3.56Å; Q39-M90 VanDerWaalsContact CG-SD 3.56Å; M90-N97 CarbonylContact O-C 3.52Å; M90-N97 VanDerWaalsContact O-CA 3.26Å; M90-N97 WeakPolarHBondContact O-CA 2.74Å; M90-R98 HydrophobicContact CB-CB 4.05Å; M90-R98 HydrophobicContact CB-CG 4.2Å; M90-R98 PolarHBondContact O-N 3.41Å; M90-F100 HydrophobicContact CB-CD2 4.46Å; M90-F100 HydrophobicContact CB-CE1 4.28Å; M90-F100 HydrophobicContact CB-CE2 4.14Å; M90-F100 HydrophobicContact CB-CZ 4.02Å; M90-F100 HydrophobicContact CG-CD2 3.8Å; M90-F100 HydrophobicContact CG-CE1 4.43Å; M90-F100 HydrophobicContact CG-CE2 3.43Å; M90-F100 VanDerWaalsContact CG-CE2 3.43Å; M90-F100 HydrophobicContact CG-CG 4.49Å; M90-F100 HydrophobicContact CG-CZ 3.76Å; M90-F100 PolarHBondContact N-O 2.98Å; M90-Y102 HydrophobicContact CG-CE2 4.42Å |
| 91 | M | 87.1 | Confident | 88.8 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 144.3 | -172.6 | -56.5 | -57.7 | -59.5 | 0 | 0 | 111.4 | G38 R40 Y70 L89 G95 L96 N97 R98 | G38-M91 PolarHBondContact O-N 2.78Å; R40-M91 HydrophobicContact CB-CG 3.89Å; R40-M91 HydrophobicContact CB-SD 4.49Å; Y70-M91 HydrophobicContact CD1-CE 4.44Å; Y70-M91 HydrophobicContact CE1-CE 4.02Å; L89-M91 HydrophobicContact CB-SD 4.31Å; L89-M91 HydrophobicContact CD2-SD 3.72Å; L89-M91 HydrophobicContact CG-SD 3.71Å; M91-G95 WeakPolarHBondContact CE-O 3.23Å; M91-L96 WeakPolarHBondContact CA-O 3.44Å; M91-L96 WeakPolarHBondContact CE-O 3.44Å; M91-N97 HydrophobicContact SD-CB 4.09Å; M91-R98 PolarHBondContact O-NE 3.26Å; M91-R98 PolarHBondContact O-NH2 3.33Å |
| 92 | T | 83.3 | Confident | 88.8 | Confident | 37 Ų | 37 | 35 Ų | 35 | 23% | 0.227 | 17% | 0.169 | C | C | . | . | trans | -79.3 | 169.4 | 164.1 | 63.7 | 0 | 0 | 0 | 0 | 109.7 | S94 G95 L96 R98 | T92-S94 PolarHBondContact O-N 3.06Å; T92-S94 PolarHBondContact OG1-N 3.4Å; T92-S94 PolarHBondContact OG1-OG 3.19Å; T92-G95 PolarHBondContact O-N 3.38Å; T92-L96 PolarHBondContact N-O 2.7Å; T92-L96 PolarHBondContact OG1-N 3.18Å; T92-L96 PolarHBondContact OG1-O 3.19Å; T92-R98 HydrophobicContact CG2-CG 3.82Å | ||
| 93 | F | 76.3 | Confident | 88.9 | Confident | 191 Ų | 191 | 34.1 Ų | 34.1 | 84% | 0.838 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -22.2 | 169.7 | -59 | -71.2 | 0 | 0 | 0 | 112 | G95 | F93-G95 PolarHBondContact O-N 3.22Š|
| 94 | S | 70.4 | Confident | 88.9 | Confident | 26 Ų | 26 | 28.4 Ų | 28.4 | 18% | 0.182 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 23.6 | 174.1 | 62.2 | 0 | 0 | 0 | 0 | 113.7 | C11 T92 L96 | C11-S94 WeakPolarHBondContact SG-CA 3.35Å; C11-S94 PolarHBondContact SG-O 3.19Å; T92-S94 PolarHBondContact O-N 3.06Å; T92-S94 PolarHBondContact OG1-N 3.4Å; T92-S94 PolarHBondContact OG1-OG 3.19Å; S94-L96 PolarHBondContact O-N 3.27Å |
| 95 | G | 73.1 | Confident | 88.9 | Confident | 22 Ų | 22 | 28.3 Ų | 28.3 | 23% | 0.227 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 69.6 | -9.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | Y70 M91 T92 F93 | Y70-G95 PolarHBondContact OH-O 3.33Å; M91-G95 WeakPolarHBondContact CE-O 3.23Å; T92-G95 PolarHBondContact O-N 3.38Å; F93-G95 PolarHBondContact O-N 3.22Å |
| 96 | L | 81.7 | Confident | 88.9 | Confident | 9 Ų | 9 | 29 Ų | 29 | 5% | 0.047 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -83.5 | 159.3 | 173.4 | -61.9 | 177.9 | 0 | 0 | 0 | 111.3 | W10 V14 M91 T92 S94 | W10-L96 HydrophobicContact CZ3-CD1 4.02Å; V14-L96 HydrophobicContact CG1-CD1 4.16Å; V14-L96 HydrophobicContact CG1-CD2 3.95Å; M91-L96 WeakPolarHBondContact CA-O 3.44Å; M91-L96 WeakPolarHBondContact CE-O 3.44Å; T92-L96 PolarHBondContact N-O 2.7Å; T92-L96 PolarHBondContact OG1-N 3.18Å; T92-L96 PolarHBondContact OG1-O 3.19Å; S94-L96 PolarHBondContact O-N 3.27Å |
| 97 | N | 89.3 | Confident | 88.9 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 158.2 | 173.1 | 80.6 | 66.6 | 0 | 0 | 0 | 111.7 | P66 Q67 V69 L89 M90 M91 G99 | P66-N97 PolarHBondContact O-ND2 2.93Å; Q67-N97 WeakPolarHBondContact CA-ND2 3.28Å; Q67-N97 PolarHBondContact O-N 2.79Å; Q67-N97 PolarHBondContact O-ND2 3.43Å; V69-N97 PolarHBondContact O-ND2 3.32Å; L89-N97 HydrophobicContact CD1-CB 3.78Å; L89-N97 HydrophobicContact CD2-CB 4.02Å; L89-N97 HydrophobicContact CG-CB 3.88Å; M90-N97 CarbonylContact O-C 3.52Å; M90-N97 VanDerWaalsContact O-CA 3.26Å; M90-N97 WeakPolarHBondContact O-CA 2.74Å; M91-N97 HydrophobicContact SD-CB 4.09Å; N97-G99 VanDerWaalsContact C-N 3.26Å; N97-G99 PolarHBondContact O-N 3.04Å; N97-G99 VanDerWaalsContact OD1-CA 3.28Å; N97-G99 WeakPolarHBondContact OD1-CA 3.4Å; N97-G99 PolarHBondContact OD1-N 2.99Å |
| 98 | R | 88.4 | Confident | 88.8 | Confident | 110 Ų | 110 | 37.2 Ų | 37.2 | 42% | 0.415 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 10.8 | -178.4 | -61.7 | -171.4 | -174.6 | -166.8 | -3.5 | 114.1 | M90 M91 T92 F100 | M90-R98 HydrophobicContact CB-CB 4.05Å; M90-R98 HydrophobicContact CB-CG 4.2Å; M90-R98 PolarHBondContact O-N 3.41Å; M91-R98 PolarHBondContact O-NE 3.26Å; M91-R98 PolarHBondContact O-NH2 3.33Å; T92-R98 HydrophobicContact CG2-CG 3.82Å; R98-F100 HydrophobicContact CB-CD1 4.03Å; R98-F100 HydrophobicContact CB-CE1 3.68Å; R98-F100 WeakPolarHBondContact O-CD1 3.49Å |
| 99 | G | 89.2 | Confident | 88.8 | Confident | 18 Ų | 18 | 46.5 Ų | 46.5 | 19% | 0.186 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 82.4 | 9.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | R64 L65 N97 | R64-G99 PolarHBondContact N-O 2.94Å; L65-G99 PolarHBondContact N-O 3.24Å; L65-G99 VanDerWaalsContact O-CA 3.27Å; L65-G99 WeakPolarHBondContact O-CA 3.49Å; N97-G99 VanDerWaalsContact C-N 3.26Å; N97-G99 PolarHBondContact O-N 3.04Å; N97-G99 VanDerWaalsContact OD1-CA 3.28Å; N97-G99 WeakPolarHBondContact OD1-CA 3.4Å; N97-G99 PolarHBondContact OD1-N 2.99Å |
| 100 | F | 93.3 | Very high | 88.8 | Confident | 55 Ų | 55 | 47 Ų | 47 | 24% | 0.241 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 156.5 | 176 | 68.6 | -79.1 | 0 | 0 | 0 | 113.8 | F61 I62 M90 R98 Y102 | F61-F100 HydrophobicContact CD2-CD2 4.44Å; F61-F100 HydrophobicContact CE2-CB 3.7Å; F61-F100 AromaticContact CE2-CD2 3.67Å; F61-F100 HydrophobicContact CE2-CD2 3.67Å; F61-F100 AromaticContact CE2-CG 3.95Å; F61-F100 HydrophobicContact CE2-CG 3.95Å; F61-F100 HydrophobicContact CZ-CB 3.77Å; F61-F100 HydrophobicContact CZ-CG 4.35Å; I62-F100 CarbonylContact O-C 3.6Å; I62-F100 WeakPolarHBondContact O-CA 3.37Å; I62-F100 WeakPolarHBondContact O-CB 3.47Å; M90-F100 HydrophobicContact CB-CD2 4.46Å; M90-F100 HydrophobicContact CB-CE1 4.28Å; M90-F100 HydrophobicContact CB-CE2 4.14Å; M90-F100 HydrophobicContact CB-CZ 4.02Å; M90-F100 HydrophobicContact CG-CD2 3.8Å; M90-F100 HydrophobicContact CG-CE1 4.43Å; M90-F100 HydrophobicContact CG-CE2 3.43Å; M90-F100 VanDerWaalsContact CG-CE2 3.43Å; M90-F100 HydrophobicContact CG-CG 4.49Å; M90-F100 HydrophobicContact CG-CZ 3.76Å; M90-F100 PolarHBondContact N-O 2.98Å; R98-F100 HydrophobicContact CB-CD1 4.03Å; R98-F100 HydrophobicContact CB-CE1 3.68Å; R98-F100 WeakPolarHBondContact O-CD1 3.49Å; F100-Y102 AromaticContact CD2-CE2 3.8Å; F100-Y102 HydrophobicContact CD2-CE2 3.8Å; F100-Y102 AromaticContact CE2-CE2 3.75Å; F100-Y102 HydrophobicContact CE2-CE2 3.75Å |
| 101 | A | 95.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 169.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | I62 L65 F87 R88 L89 | I62-A101 HydrophobicContact CB-CB 4.24Å; I62-A101 HydrophobicContact CD1-CB 4.14Å; I62-A101 PolarHBondContact N-O 3.44Å; I62-A101 PolarHBondContact O-N 3.32Å; L65-A101 HydrophobicContact CD1-CB 3.64Å; F87-A101 HydrophobicContact CE1-CB 4.1Å; F87-A101 HydrophobicContact CZ-CB 3.76Å; R88-A101 CarbonylContact O-C 3.43Å; R88-A101 VanDerWaalsContact O-CA 3.23Å; R88-A101 WeakPolarHBondContact O-CA 3.44Å; R88-A101 WeakPolarHBondContact O-CB 3.47Å; L89-A101 HydrophobicContact CD1-CB 3.84Å |
| 102 | Y | 94.6 | Very high | 89.4 | Confident | 42 Ų | 42 | 52.5 Ų | 52.5 | 17% | 0.165 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 138.7 | 172.1 | -62.4 | -92.2 | 0 | 0 | 0 | 110 | E59 V60 F61 F87 R88 M90 F100 | E59-Y102 HydrophobicContact CG-CD1 4.43Å; V60-Y102 WeakPolarHBondContact O-CA 3.36Å; F61-Y102 HydrophobicContact CB-CD1 4.47Å; F61-Y102 HydrophobicContact CB-CE1 4.27Å; F61-Y102 HydrophobicContact CD2-CD1 4.4Å; F61-Y102 AromaticContact CD2-CE1 3.71Å; F61-Y102 HydrophobicContact CD2-CE1 3.71Å; F61-Y102 AromaticContact CD2-CZ 3.82Å; F61-Y102 HydrophobicContact CG-CE1 4.49Å; F87-Y102 CarbonylContact C-O 3.59Å; F87-Y102 WeakPolarHBondContact CA-O 3.5Å; R88-Y102 PolarHBondContact N-O 3.21Å; R88-Y102 VanDerWaalsContact NH2-CB 3.33Å; R88-Y102 VanDerWaalsContact NH2-CG 3.27Å; R88-Y102 PolarHBondContact O-N 3.18Å; M90-Y102 HydrophobicContact CG-CE2 4.42Å; F100-Y102 AromaticContact CD2-CE2 3.8Å; F100-Y102 HydrophobicContact CD2-CE2 3.8Å; F100-Y102 AromaticContact CE2-CE2 3.75Å; F100-Y102 HydrophobicContact CE2-CE2 3.75Å |
| 103 | A | 95.3 | Very high | 90 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 119.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | E59 V60 I62 F78 L84 F87 Y105 | E59-A103 CarbonylContact C-O 3.6Å; E59-A103 WeakPolarHBondContact CA-O 3.5Å; V60-A103 HydrophobicContact CG2-CB 3.83Å; V60-A103 WeakPolarHBondContact CG2-O 3.36Å; V60-A103 PolarHBondContact N-O 2.88Å; V60-A103 PolarHBondContact O-N 3.27Å; V60-A103 VanDerWaalsContact O-N 3.07Å; I62-A103 HydrophobicContact CD1-CB 3.86Å; F78-A103 HydrophobicContact CD1-CB 3.9Å; F78-A103 HydrophobicContact CE1-CB 4.43Å; L84-A103 HydrophobicContact CD2-CB 3.99Å; F87-A103 HydrophobicContact CD2-CB 3.74Å; F87-A103 HydrophobicContact CE2-CB 4.11Å; A103-Y105 HydrophobicContact CB-CE2 4.34Å |
| 104 | R | 93.7 | Very high | 91 | Very high | 18 Ų | 18 | 43.3 Ų | 43.3 | 7% | 0.068 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 120.1 | 172.8 | -167.7 | 170.7 | -170.1 | 155.6 | 3 | 109.3 | P54 S58 E59 Y85 E86 | P54-R104 HydrophobicContact CG-CG 4.47Å; P54-R104 PolarHBondContact O-NH2 2.94Å; S58-R104 WeakPolarHBondContact O-CA 3.19Å; E59-R104 HydrophobicContact CB-CB 4.36Å; E59-R104 HydrophobicContact CB-CG 4.34Å; E59-R104 HydrophobicContact CG-CB 4.34Å; Y85-R104 WeakPolarHBondContact CB-O 3.27Å; Y85-R104 HydrophobicContact CD1-CG 4.43Å; Y85-R104 PolarHBondContact N-O 2.83Å; E86-R104 HydrophobicContact CB-CB 4.17Å; E86-R104 PolarHBondContact N-O 3.06Å; E86-R104 PolarHBondContact O-N 3.26Å |
| 105 | Y | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 163.1 | 175.4 | -74.4 | -87.8 | 0 | 0 | 0 | 111.5 | P54 S58 V60 F78 G82 L84 A103 S107 A111 A114 | P54-Y105 WeakPolarHBondContact CB-O 3.48Å; P54-Y105 WeakPolarHBondContact CG-O 3.25Å; S58-Y105 WeakPolarHBondContact CB-O 3.38Å; S58-Y105 PolarHBondContact O-N 3.21Å; V60-Y105 HydrophobicContact CG2-CE2 4.07Å; F78-Y105 HydrophobicContact CD1-CE2 4.43Å; F78-Y105 VanDerWaalsContact CD1-OH 3.28Å; F78-Y105 WeakPolarHBondContact CD1-OH 3.39Å; F78-Y105 PolarHBondContact O-OH 3.34Å; F78-Y105 VanDerWaalsContact O-OH 3.07Å; G82-Y105 WeakPolarHBondContact O-CE1 3.33Å; L84-Y105 HydrophobicContact CD2-CD1 3.85Å; L84-Y105 HydrophobicContact CD2-CD2 4.28Å; L84-Y105 HydrophobicContact CD2-CE1 3.57Å; L84-Y105 HydrophobicContact CD2-CE2 4.04Å; L84-Y105 HydrophobicContact CD2-CG 4.21Å; L84-Y105 HydrophobicContact CG-CE1 4.4Å; A103-Y105 HydrophobicContact CB-CE2 4.34Å; Y105-S107 PolarHBondContact O-N 2.96Å; Y105-A111 HydrophobicContact CD2-CB 4.18Å; Y105-A114 HydrophobicContact CD2-CB 4.35Å; Y105-A114 HydrophobicContact CE2-CB 3.37Å; Y105-A114 VanDerWaalsContact CZ-CB 3.47Å; Y105-A114 WeakPolarHBondContact OH-CB 3.37Å |
| 106 | S | 92.6 | Very high | 93.3 | Very high | 40 Ų | 40 | 47.5 Ų | 47.5 | 28% | 0.28 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -57 | -26.9 | 170 | 51.4 | 0 | 0 | 0 | 0 | 114.1 | R83 | R83-S106 PolarHBondContact O-N 2.84Å; R83-S106 PolarHBondContact O-OG 2.99Å |
| 107 | S | 92.7 | Very high | 94 | Very high | 45 Ų | 45 | 51.3 Ų | 51.3 | 32% | 0.315 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -148.1 | 160.2 | -176.8 | 68.4 | 0 | 0 | 0 | 0 | 112.8 | S58 Y105 R109 G110 A111 | S58-S107 VanDerWaalsContact OG-C 3.32Å; Y105-S107 PolarHBondContact O-N 2.96Å; S107-R109 VanDerWaalsContact C-N 3.27Å; S107-R109 PolarHBondContact O-N 3.25Å; S107-G110 PolarHBondContact O-N 2.67Å; S107-G110 PolarHBondContact OG-N 3.48Å; S107-A111 PolarHBondContact O-N 3.11Å |
| 108 | R | 92.3 | Very high | 94.3 | Very high | 137 Ų | 137 | 51.6 Ų | 51.6 | 52% | 0.517 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.3 | -38.1 | 173 | -71.8 | -170.5 | -105.5 | -122.6 | 9.1 | 112.4 | P55 A56 S58 G110 A111 Q112 | P55-R108 HydrophobicContact CG-CG 4.4Å; A56-R108 WeakPolarHBondContact O-CD 3.34Å; A56-R108 PolarHBondContact O-NH1 2.91Å; S58-R108 PolarHBondContact OG-N 3.36Å; R108-G110 VanDerWaalsContact C-N 3.32Å; R108-G110 PolarHBondContact O-N 2.68Å; R108-A111 WeakPolarHBondContact O-CB 3.34Å; R108-A111 PolarHBondContact O-N 2.92Å; R108-Q112 WeakPolarHBondContact O-CG 3.42Å; R108-Q112 PolarHBondContact O-N 2.89Å |
| 109 | R | 94.5 | Very high | 94.6 | Very high | 208 Ų | 208 | 50 Ų | 50 | 79% | 0.785 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -61.5 | -41.8 | 176.4 | -174.7 | 179.6 | 173.8 | -172.1 | -1.6 | 111.2 | S107 A111 Q112 A113 | S107-R109 VanDerWaalsContact C-N 3.27Å; S107-R109 PolarHBondContact O-N 3.25Å; R109-A111 VanDerWaalsContact C-N 3.34Å; R109-A111 PolarHBondContact O-N 2.79Å; R109-Q112 PolarHBondContact O-N 2.84Å; R109-A113 WeakPolarHBondContact O-CB 3.35Å; R109-A113 PolarHBondContact O-N 3.42Å |
| 110 | G | 95.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 53.3 Ų | 53.3 | 9% | 0.093 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S107 R108 A113 A114 | S107-G110 PolarHBondContact O-N 2.67Å; S107-G110 PolarHBondContact OG-N 3.48Å; R108-G110 VanDerWaalsContact C-N 3.32Å; R108-G110 PolarHBondContact O-N 2.68Å; G110-A113 PolarHBondContact O-N 3.35Å; G110-A114 WeakPolarHBondContact O-CB 3.4Å; G110-A114 PolarHBondContact O-N 3.26Å |
| 111 | A | 94.9 | Very high | 94.7 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 3% | 0.025 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V60 Y105 S107 R108 R109 A114 I115 | V60-A111 HydrophobicContact CG1-CB 3.78Å; V60-A111 WeakPolarHBondContact CG1-O 3.45Å; Y105-A111 HydrophobicContact CD2-CB 4.18Å; S107-A111 PolarHBondContact O-N 3.11Å; R108-A111 WeakPolarHBondContact O-CB 3.34Å; R108-A111 PolarHBondContact O-N 2.92Å; R109-A111 VanDerWaalsContact C-N 3.34Å; R109-A111 PolarHBondContact O-N 2.79Å; A111-A114 WeakPolarHBondContact O-CB 3.32Å; A111-A114 PolarHBondContact O-N 3.05Å; A111-I115 WeakPolarHBondContact O-CG1 3.47Å; A111-I115 PolarHBondContact O-N 3.5Å; A111-I115 VanDerWaalsContact O-N 3.08Å |
| 112 | Q | 95.7 | Very high | 94.2 | Very high | 132 Ų | 132 | 57.8 Ų | 57.8 | 62% | 0.617 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.2 | -43.5 | 175.8 | -72.6 | 173.1 | -23.3 | 0 | 0 | 112.1 | R108 R109 A114 I115 A116 | R108-Q112 WeakPolarHBondContact O-CG 3.42Å; R108-Q112 PolarHBondContact O-N 2.89Å; R109-Q112 PolarHBondContact O-N 2.84Å; Q112-A114 VanDerWaalsContact C-N 3.27Å; Q112-A114 PolarHBondContact O-N 2.93Å; Q112-I115 PolarHBondContact O-N 3.33Å; Q112-A116 PolarHBondContact O-N 2.86Å |
| 113 | A | 96.8 | Very high | 93.6 | Very high | 36 Ų | 36 | 57.3 Ų | 57.3 | 30% | 0.298 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.4 | -39.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V81 R109 G110 A116 T117 | V81-A113 HydrophobicContact CG1-CB 3.71Å; R109-A113 WeakPolarHBondContact O-CB 3.35Å; R109-A113 PolarHBondContact O-N 3.42Å; G110-A113 PolarHBondContact O-N 3.35Å; A113-A116 PolarHBondContact O-N 3Å; A113-T117 VanDerWaalsContact O-CB 3.28Å; A113-T117 WeakPolarHBondContact O-CB 3.34Å; A113-T117 PolarHBondContact O-N 3.3Å; A113-T117 PolarHBondContact O-OG1 2.99Å |
| 114 | A | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V60 V81 Y105 G110 A111 Q112 L118 | V60-A114 HydrophobicContact CG1-CB 4.41Å; V81-A114 HydrophobicContact CG1-CB 4.18Å; Y105-A114 HydrophobicContact CD2-CB 4.35Å; Y105-A114 HydrophobicContact CE2-CB 3.37Å; Y105-A114 VanDerWaalsContact CZ-CB 3.47Å; Y105-A114 WeakPolarHBondContact OH-CB 3.37Å; G110-A114 WeakPolarHBondContact O-CB 3.4Å; G110-A114 PolarHBondContact O-N 3.26Å; A111-A114 WeakPolarHBondContact O-CB 3.32Å; A111-A114 PolarHBondContact O-N 3.05Å; Q112-A114 VanDerWaalsContact C-N 3.27Å; Q112-A114 PolarHBondContact O-N 2.93Å; A114-L118 WeakPolarHBondContact O-CA 3.36Å; A114-L118 VanDerWaalsContact O-CB 3.27Å; A114-L118 WeakPolarHBondContact O-CB 3.37Å; A114-L118 PolarHBondContact O-N 2.93Å |
| 115 | I | 96.6 | Very high | 91.7 | Very high | 49 Ų | 49 | 66.5 Ų | 66.5 | 25% | 0.251 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63 | -48.3 | 173.9 | -64.3 | 163.8 | 0 | 0 | 0 | 110 | V60 A111 Q112 T117 H119 V131 R133 | V60-I115 HydrophobicContact CG1-CD1 4.05Å; V60-I115 HydrophobicContact CG1-CG1 3.79Å; A111-I115 WeakPolarHBondContact O-CG1 3.47Å; A111-I115 PolarHBondContact O-N 3.5Å; A111-I115 VanDerWaalsContact O-N 3.08Å; Q112-I115 PolarHBondContact O-N 3.33Å; I115-T117 VanDerWaalsContact C-N 3.31Å; I115-T117 PolarHBondContact O-N 3.17Å; I115-H119 WeakPolarHBondContact O-CB 3.42Å; I115-H119 PolarHBondContact O-N 3.38Å; I115-V131 HydrophobicContact CG1-CG1 4.11Å; I115-R133 HydrophobicContact CD1-CB 4.2Å |
| 116 | A | 96.2 | Very high | 90.7 | Very high | 87 Ų | 87 | 72.3 Ų | 72.3 | 72% | 0.719 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.3 | -35.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q112 A113 | Q112-A116 PolarHBondContact O-N 2.86Å; A113-A116 PolarHBondContact O-N 3Å |
| 117 | T | 95.6 | Very high | 90.2 | Very high | 88 Ų | 88 | 72.6 Ų | 72.6 | 54% | 0.54 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -93.4 | -39.5 | -171.9 | -48.4 | 0 | 0 | 0 | 0 | 113 | V81 A113 I115 | V81-T117 HydrophobicContact CG2-CG2 4.25Å; A113-T117 VanDerWaalsContact O-CB 3.28Å; A113-T117 WeakPolarHBondContact O-CB 3.34Å; A113-T117 PolarHBondContact O-N 3.3Å; A113-T117 PolarHBondContact O-OG1 2.99Å; I115-T117 VanDerWaalsContact C-N 3.31Å; I115-T117 PolarHBondContact O-N 3.17Å |
| 118 | L | 95.9 | Very high | 90 | Very high | 6 Ų | 6 | 72.4 Ų | 72.4 | 3% | 0.031 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -103.2 | -8.7 | -170.2 | -58.9 | 175 | 0 | 0 | 0 | 113.3 | L77 F78 V81 A114 N120 H121 V131 | L77-L118 HydrophobicContact CD1-CD2 3.88Å; L77-L118 HydrophobicContact CD2-CD2 4.49Å; L77-L118 HydrophobicContact CG-CD2 4Å; F78-L118 HydrophobicContact CB-CD1 4.46Å; F78-L118 HydrophobicContact CD1-CD1 3.65Å; F78-L118 HydrophobicContact CD2-CD1 3.97Å; F78-L118 HydrophobicContact CE1-CD1 3.67Å; F78-L118 HydrophobicContact CE2-CD1 4.04Å; F78-L118 HydrophobicContact CG-CD1 3.78Å; F78-L118 HydrophobicContact CZ-CD1 3.86Å; V81-L118 HydrophobicContact CG2-CD1 3.72Å; V81-L118 HydrophobicContact CG2-CD2 4.18Å; V81-L118 HydrophobicContact CG2-CG 3.82Å; A114-L118 WeakPolarHBondContact O-CA 3.36Å; A114-L118 VanDerWaalsContact O-CB 3.27Å; A114-L118 WeakPolarHBondContact O-CB 3.37Å; A114-L118 PolarHBondContact O-N 2.93Å; L118-N120 PolarHBondContact O-N 2.76Å; L118-H121 HydrophobicContact CD2-CB 4.47Å; L118-H121 VanDerWaalsContact O-CB 3.24Å; L118-H121 WeakPolarHBondContact O-CB 3.4Å; L118-H121 PolarHBondContact O-N 3.25Å; L118-H121 VanDerWaalsContact O-N 3.11Å; L118-V131 HydrophobicContact CB-CG2 3.89Å; L118-V131 WeakPolarHBondContact O-CG2 3.41Å |
| 119 | H | 94.1 | Very high | 90.1 | Very high | 78 Ų | 78 | 65.9 Ų | 65.9 | 36% | 0.361 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 130.1 | 170.4 | -175 | 85.8 | 0 | 0 | 0 | 109.9 | I115 H121 L130 V131 | I115-H119 WeakPolarHBondContact O-CB 3.42Å; I115-H119 PolarHBondContact O-N 3.38Å; H119-H121 PolarHBondContact O-N 3.07Å; H119-L130 VanDerWaalsContact CE1-CD1 3.48Å; H119-L130 WeakPolarHBondContact CE1-CD1 3.38Å; H119-V131 HydrophobicContact CB-CB 4.31Å; H119-V131 PolarHBondContact ND1-N 3.04Å; H119-V131 PolarHBondContact ND1-O 3.47Å |
| 120 | N | 92.8 | Very high | 90 | Very high | 86 Ų | 86 | 58.6 Ų | 58.6 | 46% | 0.46 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 14.4 | -171.2 | -61 | -38.5 | 0 | 0 | 0 | 115.8 | R64 L118 P128 L129 | R64-N120 PolarHBondContact NH2-OD1 2.86Å; L118-N120 PolarHBondContact O-N 2.76Å; N120-P128 HydrophobicContact CB-CB 4.38Å; N120-L129 WeakPolarHBondContact CA-O 3.28Å; N120-L129 PolarHBondContact N-O 3.41Å |
| 121 | H | 91.3 | Very high | 90.1 | Very high | 60 Ų | 60 | 58.1 Ų | 58.1 | 28% | 0.278 | 34% | 0.341 | S | S | . | . | trans | -61.7 | 126.3 | 173 | 179.2 | -83 | 0 | 0 | 0 | 110.3 | L118 H119 L123 P128 L129 | L118-H121 HydrophobicContact CD2-CB 4.47Å; L118-H121 VanDerWaalsContact O-CB 3.24Å; L118-H121 WeakPolarHBondContact O-CB 3.4Å; L118-H121 PolarHBondContact O-N 3.25Å; L118-H121 VanDerWaalsContact O-N 3.11Å; H119-H121 PolarHBondContact O-N 3.07Å; H121-L123 PolarHBondContact O-N 3.24Å; H121-L123 VanDerWaalsContact O-N 3.1Å; H121-P128 WeakPolarHBondContact O-CA 3.49Å; H121-L129 PolarHBondContact O-N 3.47Å | ||
| 122 | P | 86.5 | Confident | 90 | Very high | 89 Ų | 89 | 60.2 Ų | 60.2 | 58% | 0.578 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 101.4 | -179.7 | 30.1 | -32.5 | 0 | 0 | 0 | 109.5 | ||
| 123 | L | 81.8 | Confident | 89.7 | Confident | 32 Ų | 32 | 62.5 Ų | 62.5 | 17% | 0.168 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -34.5 | 173.7 | -170.8 | 67.4 | 0 | 0 | 0 | 111.2 | L65 V69 L74 L77 H121 C127 L129 | L65-L123 HydrophobicContact CD2-CD2 4.37Å; V69-L123 HydrophobicContact CB-CD2 4.23Å; V69-L123 HydrophobicContact CG1-CD2 3.74Å; V69-L123 HydrophobicContact CG2-CD2 3.71Å; L74-L123 HydrophobicContact CD2-CD2 4.06Å; L77-L123 HydrophobicContact CD2-CD1 4.22Å; H121-L123 PolarHBondContact O-N 3.24Å; H121-L123 VanDerWaalsContact O-N 3.1Å; L123-C127 PolarHBondContact N-O 3.3Å; L123-L129 HydrophobicContact CB-CD2 4Å; L123-L129 HydrophobicContact CB-CG 4.12Å; L123-L129 HydrophobicContact CD2-CD2 4.03Å |
| 124 | R | 78.3 | Confident | 89.2 | Confident | 95 Ų | 95 | 61 Ų | 61 | 36% | 0.358 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 160.3 | 167.7 | -101.4 | -175.2 | -74.1 | -161.3 | -24.6 | 109.3 | D68 S126 C127 | D68-R124 IonicContact OD1-CZ 2.64Å; D68-R124 IonicContact OD1-NH1 3.52Å; D68-R124 IonicContact OD1-NH2 2.68Å; D68-R124 PolarHBondContact OD1-NH2 3.42Å; D68-R124 IonicContact OD2-CZ 2.77Å; D68-R124 VanDerWaalsContact OD2-CZ 3.29Å; D68-R124 IonicContact OD2-NH1 2.8Å; D68-R124 PolarHBondContact OD2-NH1 2.64Å; D68-R124 IonicContact OD2-NH2 2.67Å; D68-R124 PolarHBondContact OD2-NH2 3.47Å; R124-S126 PolarHBondContact O-N 3.43Å; R124-C127 HydrophobicContact CB-CB 4.15Å; R124-C127 PolarHBondContact O-N 3.43Å |
| 125 | P | 70 | Confident | 88.3 | Confident | 116 Ų | 116 | 66.4 Ų | 66.4 | 75% | 0.753 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.1 | 132.4 | 166.2 | -22.5 | 32.9 | 0 | 0 | 0 | 108.9 | C127 | P125-C127 PolarHBondContact O-N 2.89Å; P125-C127 VanDerWaalsContact O-N 3.14Å |
| 126 | S | 73.8 | Confident | 87.1 | Confident | 122 Ų | 122 | 66.2 Ų | 66.2 | 85% | 0.853 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 5 | -177.5 | 74.4 | 0 | 0 | 0 | 0 | 118.7 | R124 P128 | R124-S126 PolarHBondContact O-N 3.43Å; S126-P128 VanDerWaalsContact O-CD 3.32Å; S126-P128 WeakPolarHBondContact O-CD 3.21Å |
| 127 | C | 81.4 | Confident | 86.5 | Confident | 47 Ų | 47 | 67.7 Ų | 67.7 | 32% | 0.318 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 77.2 | 178.5 | -66.5 | 0 | 0 | 0 | 0 | 112.4 | P66 L123 R124 P125 | P66-C127 HydrophobicContact CG-CB 4.29Å; L123-C127 PolarHBondContact N-O 3.3Å; R124-C127 HydrophobicContact CB-CB 4.15Å; R124-C127 PolarHBondContact O-N 3.43Å; P125-C127 PolarHBondContact O-N 2.89Å; P125-C127 VanDerWaalsContact O-N 3.14Å |
| 128 | P | 90 | Very high | 86.2 | Confident | 41 Ų | 41 | 64.4 Ų | 64.4 | 27% | 0.266 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 136.5 | 178.3 | 30.1 | -33.6 | 0 | 0 | 0 | 111.9 | R64 N120 H121 S126 | R64-P128 VanDerWaalsContact CZ-O 3.31Å; R64-P128 PolarHBondContact NE-O 3.38Å; R64-P128 PolarHBondContact NH2-O 3.13Å; N120-P128 HydrophobicContact CB-CB 4.38Å; H121-P128 WeakPolarHBondContact O-CA 3.49Å; S126-P128 VanDerWaalsContact O-CD 3.32Å; S126-P128 WeakPolarHBondContact O-CD 3.21Å |
| 129 | L | 93.5 | Very high | 86 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | trans | -63.3 | 142.4 | 175.6 | -63.3 | -176.9 | 0 | 0 | 0 | 111.2 | R64 L65 L77 F78 N120 H121 L123 V131 | R64-L129 PolarHBondContact NH2-O 2.97Å; R64-L129 VanDerWaalsContact NH2-O 3.08Å; L65-L129 HydrophobicContact CD2-CD2 3.47Å; L65-L129 VanDerWaalsContact CD2-CD2 3.47Å; L65-L129 HydrophobicContact CG-CD2 4.46Å; L77-L129 HydrophobicContact CD2-CD1 3.91Å; F78-L129 HydrophobicContact CE2-CD1 4.32Å; N120-L129 WeakPolarHBondContact CA-O 3.28Å; N120-L129 PolarHBondContact N-O 3.41Å; H121-L129 PolarHBondContact O-N 3.47Å; L123-L129 HydrophobicContact CB-CD2 4Å; L123-L129 HydrophobicContact CB-CG 4.12Å; L123-L129 HydrophobicContact CD2-CD2 4.03Å; L129-V131 HydrophobicContact CB-CG2 4.24Å | ||
| 130 | L | 93.7 | Very high | 85.9 | Confident | 54 Ų | 54 | 62.9 Ų | 62.9 | 28% | 0.283 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 111.3 | 162.1 | 170.4 | 61 | 0 | 0 | 0 | 107.6 | F61 I62 G63 R64 H119 | F61-L130 HydrophobicContact CE1-CD2 4.23Å; I62-L130 CarbonylContact C-O 3.58Å; I62-L130 VanDerWaalsContact CA-O 3.3Å; I62-L130 WeakPolarHBondContact CA-O 3.34Å; G63-L130 PolarHBondContact N-O 2.96Å; G63-L130 PolarHBondContact O-N 3.23Å; R64-L130 HydrophobicContact CB-CB 4.44Å; R64-L130 HydrophobicContact CG-CB 4.05Å; H119-L130 VanDerWaalsContact CE1-CD1 3.48Å; H119-L130 WeakPolarHBondContact CE1-CD1 3.38Å |
| 131 | V | 95.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 124.2 | 171.5 | -172.4 | 0 | 0 | 0 | 0 | 108.6 | V60 F61 F78 I115 L118 H119 L129 | V60-V131 HydrophobicContact CB-CG1 4.09Å; V60-V131 HydrophobicContact CG2-CG1 4.13Å; F61-V131 WeakPolarHBondContact O-CA 3.39Å; F78-V131 HydrophobicContact CE1-CG1 4.35Å; F78-V131 HydrophobicContact CE1-CG2 4.33Å; F78-V131 HydrophobicContact CZ-CG2 3.96Å; I115-V131 HydrophobicContact CG1-CG1 4.11Å; L118-V131 HydrophobicContact CB-CG2 3.89Å; L118-V131 WeakPolarHBondContact O-CG2 3.41Å; H119-V131 HydrophobicContact CB-CB 4.31Å; H119-V131 PolarHBondContact ND1-N 3.04Å; H119-V131 PolarHBondContact ND1-O 3.47Å; L129-V131 HydrophobicContact CB-CG2 4.24Å |
| 132 | C | 92.9 | Very high | 86 | Confident | 46 Ų | 46 | 56.2 Ų | 56.2 | 31% | 0.311 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 173.3 | 178.8 | 68.3 | 0 | 0 | 0 | 0 | 111.4 | V60 F61 S134 | V60-C132 CarbonylContact C-O 3.5Å; V60-C132 WeakPolarHBondContact CA-O 3.38Å; F61-C132 PolarHBondContact N-O 2.81Å; F61-C132 PolarHBondContact O-N 3.13Å; C132-S134 PolarHBondContact O-N 2.86Å |
| 133 | R | 89.6 | Confident | 86.2 | Confident | 181 Ų | 181 | 54.1 Ų | 54.1 | 68% | 0.683 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 130.6 | 179.8 | -167.5 | 170.5 | 73.9 | 97.3 | -4.2 | 110.3 | I115 T135 | I115-R133 HydrophobicContact CD1-CB 4.2Å; R133-T135 PolarHBondContact O-N 3.14Å |
| 134 | S | 86.8 | Confident | 86.5 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 3% | 0.028 | 30% | 0.3 | C | S | . | . | trans | -64.3 | 135.9 | 175.3 | -171.2 | 0 | 0 | 0 | 0 | 110.4 | E59 C132 E136 | E59-S134 VanDerWaalsContact O-CB 3.25Å; E59-S134 WeakPolarHBondContact O-CB 3.4Å; E59-S134 PolarHBondContact O-N 3.09Å; E59-S134 VanDerWaalsContact O-N 3.14Å; E59-S134 WeakPolarHBondContact OE1-CB 3.28Å; E59-S134 PolarHBondContact OE1-OG 3.12Å; C132-S134 PolarHBondContact O-N 2.86Å; S134-E136 PolarHBondContact O-N 3.2Å | ||
| 135 | T | 78.6 | Confident | 87.1 | Confident | 113 Ų | 113 | 50 Ų | 50 | 69% | 0.693 | 28% | 0.284 | S | S | * | . | trans | -86.4 | 84.7 | 172.2 | 49.1 | 0 | 0 | 0 | 0 | 108.7 | R133 K137 | R133-T135 PolarHBondContact O-N 3.14Å; T135-K137 PolarHBondContact O-N 2.77Å | ||
| 136 | E | 72.2 | Confident | 87.9 | Confident | 46 Ų | 46 | 46 Ų | 46 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | trans | -71.6 | 96.9 | -178.7 | -60.3 | -178.5 | 152.9 | 0 | 0 | 110.4 | G57 S134 C138 | G57-E136 PolarHBondContact N-OE1 3.24Å; G57-E136 PolarHBondContact N-OE2 2.64Å; S134-E136 PolarHBondContact O-N 3.2Å; E136-C138 VanDerWaalsContact C-N 3.31Å; E136-C138 PolarHBondContact O-N 3.48Å | ||
| 137 | K | 83.6 | Confident | 88.5 | Confident | 117 Ų | 117 | 45.6 Ų | 45.6 | 51% | 0.509 | 25% | 0.246 | S | C | . | . | trans | -75.7 | 86.1 | 170 | -58.1 | 178.6 | -177.8 | 177.8 | 0 | 108.5 | T135 H189 W215 | T135-K137 PolarHBondContact O-N 2.77Å; K137-H189 PolarHBondContact O-ND1 3.17Å; K137-W215 HydrophobicContact CB-CD2 4.29Å; K137-W215 HydrophobicContact CB-CE3 3.77Å; K137-W215 HydrophobicContact CB-CH2 4.49Å; K137-W215 HydrophobicContact CB-CZ3 3.9Å; K137-W215 HydrophobicContact CD-CD2 4.37Å; K137-W215 HydrophobicContact CD-CG 4.46Å; K137-W215 WeakPolarHBondContact O-CZ3 3.37Å | ||
| 138 | C | 87.9 | Confident | 88.8 | Confident | 19 Ų | 19 | 49.8 Ų | 49.8 | 13% | 0.128 | 27% | 0.265 | C | S | . | . | trans | -99.5 | 0.3 | -176 | -67.7 | 0 | 0 | 0 | 0 | 113.9 | E136 F186 H189 | E136-C138 VanDerWaalsContact C-N 3.31Å; E136-C138 PolarHBondContact O-N 3.48Å; C138-F186 PolarHBondContact O-N 3.26Å; C138-H189 PolarHBondContact SG-N 3.07Å | ||
| 139 | E | 91.4 | Very high | 88.7 | Confident | 53 Ų | 53 | 48.6 Ų | 48.6 | 25% | 0.248 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 133.3 | -173 | -66.4 | 172.8 | 163 | 0 | 0 | 110.8 | L184 K185 L216 K221 | E139-L184 CarbonylContact C-O 3.53Å; E139-L184 VanDerWaalsContact CA-O 3.24Å; E139-L184 WeakPolarHBondContact CA-O 3.49Å; E139-K185 HydrophobicContact CG-CB 4.34Å; E139-K185 HydrophobicContact CG-CG 4.17Å; E139-L216 HydrophobicContact CB-CB 3.76Å; E139-L216 HydrophobicContact CB-CD2 3.88Å; E139-L216 HydrophobicContact CB-CG 4.44Å; E139-L216 PolarHBondContact O-N 3.49Å; E139-K221 IonicContact OE1-NZ 3.32Å; E139-K221 PolarHBondContact OE1-NZ 3.14Å; E139-K221 WeakPolarHBondContact OE2-CE 3.41Å; E139-K221 IonicContact OE2-NZ 2.79Å; E139-K221 PolarHBondContact OE2-NZ 2.91Å |
| 140 | L | 93.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 150.5 | 174.2 | -60.1 | 179.3 | 0 | 0 | 0 | 110.3 | L184 F186 A192 A195 K196 V213 E214 W215 | L140-L184 HydrophobicContact CB-CB 4.36Å; L140-L184 PolarHBondContact N-O 3.29Å; L140-L184 PolarHBondContact O-N 3.48Å; L140-F186 HydrophobicContact CB-CE2 4.38Å; L140-F186 HydrophobicContact CD1-CE2 3.71Å; L140-F186 HydrophobicContact CD1-CZ 4.23Å; L140-F186 HydrophobicContact CG-CD2 4.49Å; L140-F186 HydrophobicContact CG-CE2 3.97Å; L140-A192 HydrophobicContact CG-CB 4.49Å; L140-A195 HydrophobicContact CD1-CB 4.27Å; L140-K196 HydrophobicContact CD1-CB 3.81Å; L140-K196 HydrophobicContact CD2-CB 3.93Å; L140-K196 HydrophobicContact CD2-CD 4.13Å; L140-K196 HydrophobicContact CD2-CG 4.27Å; L140-V213 HydrophobicContact CD1-CG1 4.37Å; L140-E214 WeakPolarHBondContact CA-O 3.39Å; L140-W215 HydrophobicContact CD2-CD2 3.92Å; L140-W215 HydrophobicContact CD2-CE3 3.32Å; L140-W215 HydrophobicContact CD2-CH2 4.28Å; L140-W215 HydrophobicContact CD2-CZ3 3.52Å; L140-W215 HydrophobicContact CG-CZ3 4.48Å |
| 141 | S | 93.4 | Very high | 88.3 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 4% | 0.035 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 132.1 | 164.1 | 50.7 | 0 | 0 | 0 | 0 | 109.2 | A182 V213 E214 | S141-A182 WeakPolarHBondContact CA-O 3.47Å; S141-V213 WeakPolarHBondContact O-CA 3.27Å; S141-E214 PolarHBondContact N-O 2.78Å; S141-E214 PolarHBondContact O-N 2.71Å |
| 142 | V | 92.5 | Very high | 88 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 106.2 | 174.4 | -176.6 | 0 | 0 | 0 | 0 | 107.4 | L145 I181 A182 L184 L199 L206 V211 A212 V213 | V142-L145 HydrophobicContact CG1-CD1 4.46Å; V142-L145 HydrophobicContact CG1-CD2 4.26Å; V142-L145 HydrophobicContact CG1-CG 4.47Å; V142-I181 CarbonylContact O-C 3.52Å; V142-I181 WeakPolarHBondContact O-CA 3.44Å; V142-I181 WeakPolarHBondContact O-CG1 3.45Å; V142-A182 HydrophobicContact CB-CB 4.26Å; V142-A182 PolarHBondContact N-O 3.4Å; V142-A182 PolarHBondContact O-N 3.21Å; V142-L184 HydrophobicContact CG2-CD1 3.75Å; V142-L184 HydrophobicContact CG2-CG 4.33Å; V142-L199 HydrophobicContact CG2-CD1 4.2Å; V142-L206 HydrophobicContact CG1-CD2 4.18Å; V142-V211 HydrophobicContact CG1-CB 3.72Å; V142-V211 HydrophobicContact CG1-CG1 3.98Å; V142-V211 HydrophobicContact CG1-CG2 3.99Å; V142-A212 WeakPolarHBondContact CA-O 3.33Å; V142-V213 HydrophobicContact CG1-CG2 4.19Å; V142-V213 HydrophobicContact CG2-CG1 4.29Å; V142-V213 HydrophobicContact CG2-CG2 4.2Å |
| 143 | D | 90.9 | Very high | 87.8 | Confident | 46 Ų | 46 | 59.9 Ų | 59.9 | 25% | 0.246 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 164.2 | -178.5 | -153.9 | -7.4 | 0 | 0 | 0 | 110.9 | S173 I181 V211 A212 | D143-S173 WeakPolarHBondContact OD1-CB 3.44Å; D143-S173 PolarHBondContact OD1-OG 2.67Å; D143-S173 PolarHBondContact OD2-OG 2.99Å; D143-I181 HydrophobicContact CB-CD1 4.07Å; D143-I181 HydrophobicContact CB-CG1 4.02Å; D143-V211 CarbonylContact O-C 3.59Å; D143-V211 VanDerWaalsContact O-CA 3.3Å; D143-V211 WeakPolarHBondContact O-CA 2.98Å; D143-V211 WeakPolarHBondContact O-CB 3.4Å; D143-A212 HydrophobicContact CB-CB 4.37Å; D143-A212 PolarHBondContact N-O 3.34Å; D143-A212 PolarHBondContact O-N 2.89Å |
| 144 | G | 87.4 | Confident | 87.8 | Confident | 37 Ų | 37 | 51.3 Ų | 51.3 | 38% | 0.381 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 84.5 | 26.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 145 | L | 90.6 | Very high | 87.9 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 150.3 | 177.4 | -60.4 | 170 | 0 | 0 | 0 | 111.2 | V142 L149 L154 L170 Q180 A182 L206 V211 | V142-L145 HydrophobicContact CG1-CD1 4.46Å; V142-L145 HydrophobicContact CG1-CD2 4.26Å; V142-L145 HydrophobicContact CG1-CG 4.47Å; L145-L149 HydrophobicContact CB-CD2 4Å; L145-L149 HydrophobicContact CD1-CD2 4.08Å; L145-L149 HydrophobicContact CD2-CD2 3.99Å; L145-L149 HydrophobicContact CG-CD2 4.25Å; L145-L154 HydrophobicContact CD1-CD1 4.37Å; L145-L170 HydrophobicContact CD1-CD2 3.71Å; L145-Q180 HydrophobicContact CB-CB 3.94Å; L145-Q180 WeakPolarHBondContact CB-O 3.23Å; L145-Q180 PolarHBondContact N-O 3.4Å; L145-Q180 PolarHBondContact O-N 2.76Å; L145-A182 HydrophobicContact CD1-CB 3.46Å; L145-A182 VanDerWaalsContact CD1-CB 3.46Å; L145-L206 HydrophobicContact CD2-CB 4.37Å; L145-L206 HydrophobicContact CD2-CD2 3.99Å; L145-V211 HydrophobicContact CD2-CG1 3.61Å; L145-V211 HydrophobicContact CG-CG1 4.42Å |
| 146 | P | 88.4 | Confident | 88.3 | Confident | 33 Ų | 33 | 54.3 Ų | 54.3 | 21% | 0.214 | 30% | 0.297 | C | S | . | . | trans | -73.6 | 149.6 | -177.1 | 27 | -28.8 | 0 | 0 | 0 | 112.1 | N148 L149 Q180 E209 | P146-N148 VanDerWaalsContact C-N 3.26Å; P146-N148 PolarHBondContact O-N 2.9Å; P146-L149 HydrophobicContact CG-CB 4.07Å; P146-L149 VanDerWaalsContact O-CB 3.25Å; P146-L149 WeakPolarHBondContact O-CB 3.39Å; P146-L149 PolarHBondContact O-N 2.86Å; P146-L149 VanDerWaalsContact O-N 3.08Å; P146-Q180 PolarHBondContact O-OE1 2.95Å; P146-E209 HydrophobicContact CB-CG 4.43Å; P146-E209 HydrophobicContact CG-CG 4.08Å | ||
| 147 | L | 86.3 | Confident | 89 | Confident | 112 Ų | 112 | 53.6 Ų | 53.6 | 59% | 0.586 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -27.3 | -174.5 | -72.4 | 172 | 0 | 0 | 0 | 114.6 | L149 P178 Q180 | L147-L149 VanDerWaalsContact C-N 3.33Å; L147-P178 HydrophobicContact CD1-CB 4.3Å; L147-Q180 HydrophobicContact CD2-CG 4.43Å; L147-Q180 PolarHBondContact O-NE2 3.17Å |
| 148 | N | 86.3 | Confident | 89.1 | Confident | 135 Ų | 135 | 48.4 Ų | 48.4 | 72% | 0.722 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 2.8 | 178.8 | 65.4 | -19 | 0 | 0 | 0 | 112.8 | P146 T150 | P146-N148 VanDerWaalsContact C-N 3.26Å; P146-N148 PolarHBondContact O-N 2.9Å; N148-T150 PolarHBondContact O-N 3.48Å |
| 149 | L | 88.5 | Confident | 89 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 9% | 0.089 | 30% | 0.302 | C | S | . | . | trans | -65.5 | 126 | -179.7 | -172.8 | 65.8 | 0 | 0 | 0 | 110 | L145 P146 L147 A153 L154 L170 Q180 C207 | L145-L149 HydrophobicContact CB-CD2 4Å; L145-L149 HydrophobicContact CD1-CD2 4.08Å; L145-L149 HydrophobicContact CD2-CD2 3.99Å; L145-L149 HydrophobicContact CG-CD2 4.25Å; P146-L149 HydrophobicContact CG-CB 4.07Å; P146-L149 VanDerWaalsContact O-CB 3.25Å; P146-L149 WeakPolarHBondContact O-CB 3.39Å; P146-L149 PolarHBondContact O-N 2.86Å; P146-L149 VanDerWaalsContact O-N 3.08Å; L147-L149 VanDerWaalsContact C-N 3.33Å; L149-A153 HydrophobicContact CD1-CB 3.81Å; L149-L154 HydrophobicContact CD2-CB 4.17Å; L149-L154 HydrophobicContact CD2-CD1 4.19Å; L149-L154 HydrophobicContact CG-CB 4.45Å; L149-L170 HydrophobicContact CD2-CD1 4.45Å; L149-L170 HydrophobicContact CD2-CD2 4.17Å; L149-L170 HydrophobicContact CG-CD1 4.3Å; L149-Q180 PolarHBondContact O-OE1 3.03Å; L149-C207 HydrophobicContact CD1-CB 4.14Å; L149-C207 VanDerWaalsContact CD1-SG 3.54Å | ||
| 150 | T | 90.1 | Very high | 88.6 | Confident | 78 Ų | 78 | 57.1 Ų | 57.1 | 48% | 0.479 | 33% | 0.326 | S | S | . | . | trans | -90.9 | 153.8 | 175 | 67.1 | 0 | 0 | 0 | 0 | 110.5 | N148 S152 A153 L154 | N148-T150 PolarHBondContact O-N 3.48Å; T150-S152 PolarHBondContact O-N 3.46Å; T150-A153 PolarHBondContact O-N 3.41Å; T150-A153 WeakPolarHBondContact OG1-CB 3.36Å; T150-A153 PolarHBondContact OG1-N 2.83Å; T150-L154 PolarHBondContact O-N 2.96Å | ||
| 151 | R | 89 | Confident | 87.9 | Confident | 136 Ų | 136 | 58.7 Ų | 58.7 | 51% | 0.513 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.2 | -37.4 | 176 | -174 | 177.9 | -176.4 | -98 | 3.6 | 112.1 | L154 L155 A168 L170 | R151-L154 PolarHBondContact O-N 3.23Å; R151-L155 HydrophobicContact CG-CD1 4.34Å; R151-L155 VanDerWaalsContact O-CG 3.32Å; R151-L155 WeakPolarHBondContact O-CG 3.35Å; R151-L155 PolarHBondContact O-N 3.33Å; R151-A168 PolarHBondContact NE-O 2.98Å; R151-L170 HydrophobicContact CB-CD1 4.45Å |
| 152 | S | 89.3 | Confident | 87 | Confident | 85 Ų | 85 | 60.2 Ų | 60.2 | 59% | 0.594 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.8 | -45.7 | 178.6 | -49.8 | 0 | 0 | 0 | 0 | 111.7 | T150 L154 L155 L156 | T150-S152 PolarHBondContact O-N 3.46Å; S152-L154 PolarHBondContact O-N 2.98Å; S152-L155 PolarHBondContact O-N 3.48Å; S152-L156 WeakPolarHBondContact O-CG 3.46Å; S152-L156 PolarHBondContact O-N 3.48Å; S152-L156 VanDerWaalsContact O-N 3.07Å |
| 153 | A | 87.8 | Confident | 86.2 | Confident | 38 Ų | 38 | 66.5 Ų | 66.5 | 31% | 0.314 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L149 T150 L155 L156 A157 | L149-A153 HydrophobicContact CD1-CB 3.81Å; T150-A153 PolarHBondContact O-N 3.41Å; T150-A153 WeakPolarHBondContact OG1-CB 3.36Å; T150-A153 PolarHBondContact OG1-N 2.83Å; A153-L155 PolarHBondContact O-N 3.29Å; A153-L156 PolarHBondContact O-N 2.99Å; A153-A157 PolarHBondContact O-N 2.91Å |
| 154 | L | 89.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.9 | -47.6 | 173.5 | 176.1 | 69 | 0 | 0 | 0 | 111.5 | L145 L149 T150 R151 S152 L156 A157 L158 A168 L170 A182 L206 | L145-L154 HydrophobicContact CD1-CD1 4.37Å; L149-L154 HydrophobicContact CD2-CB 4.17Å; L149-L154 HydrophobicContact CD2-CD1 4.19Å; L149-L154 HydrophobicContact CG-CB 4.45Å; T150-L154 PolarHBondContact O-N 2.96Å; R151-L154 PolarHBondContact O-N 3.23Å; S152-L154 PolarHBondContact O-N 2.98Å; L154-L156 VanDerWaalsContact C-N 3.33Å; L154-L156 PolarHBondContact O-N 3.37Å; L154-A157 PolarHBondContact O-N 2.68Å; L154-L158 HydrophobicContact CD1-CD1 3.86Å; L154-L158 HydrophobicContact CD1-CG 4.09Å; L154-L158 HydrophobicContact CD2-CD1 4.29Å; L154-L158 HydrophobicContact CG-CD1 3.75Å; L154-L158 HydrophobicContact CG-CG 4.32Å; L154-L158 VanDerWaalsContact O-CG 3.24Å; L154-L158 WeakPolarHBondContact O-CG 3.49Å; L154-L158 PolarHBondContact O-N 3.22Å; L154-A168 HydrophobicContact CD2-CB 4.13Å; L154-L170 HydrophobicContact CB-CD1 4.24Å; L154-L170 HydrophobicContact CD2-CD1 4.15Å; L154-L170 HydrophobicContact CD2-CD2 3.86Å; L154-L170 HydrophobicContact CD2-CG 3.75Å; L154-A182 HydrophobicContact CD1-CB 4.23Å; L154-A182 HydrophobicContact CD2-CB 3.73Å; L154-L206 HydrophobicContact CD1-CD2 3.7Å |
| 155 | L | 89.3 | Confident | 86 | Confident | 62 Ų | 62 | 66 Ų | 66 | 33% | 0.325 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | -178.9 | -73 | 173.1 | 0 | 0 | 0 | 112.3 | R151 S152 A153 L158 Q159 L165 A168 | R151-L155 HydrophobicContact CG-CD1 4.34Å; R151-L155 VanDerWaalsContact O-CG 3.32Å; R151-L155 WeakPolarHBondContact O-CG 3.35Å; R151-L155 PolarHBondContact O-N 3.33Å; S152-L155 PolarHBondContact O-N 3.48Å; A153-L155 PolarHBondContact O-N 3.29Å; L155-L158 PolarHBondContact O-N 2.95Å; L155-Q159 PolarHBondContact O-N 3.31Å; L155-Q159 VanDerWaalsContact O-N 3.15Å; L155-L165 HydrophobicContact CD2-CD2 3.89Å; L155-A168 HydrophobicContact CD2-CB 3.89Å |
| 156 | L | 87.6 | Confident | 85.8 | Confident | 118 Ų | 118 | 71.7 Ų | 71.7 | 62% | 0.618 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.4 | -44.7 | 173.2 | -72 | 171 | 0 | 0 | 0 | 111.4 | S152 A153 L154 L158 Q159 | S152-L156 WeakPolarHBondContact O-CG 3.46Å; S152-L156 PolarHBondContact O-N 3.48Å; S152-L156 VanDerWaalsContact O-N 3.07Å; A153-L156 PolarHBondContact O-N 2.99Å; L154-L156 VanDerWaalsContact C-N 3.33Å; L154-L156 PolarHBondContact O-N 3.37Å; L156-L158 VanDerWaalsContact C-N 3.26Å; L156-L158 PolarHBondContact O-N 2.98Å; L156-Q159 WeakPolarHBondContact O-CB 3.46Å; L156-Q159 PolarHBondContact O-N 3.49Å |
| 157 | A | 86.2 | Confident | 85.8 | Confident | 32 Ų | 32 | 72.9 Ų | 72.9 | 26% | 0.264 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.5 | -27.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A153 L154 P160 L206 C207 | A153-A157 PolarHBondContact O-N 2.91Å; L154-A157 PolarHBondContact O-N 2.68Å; A157-P160 WeakPolarHBondContact O-CD 3.31Å; A157-L206 HydrophobicContact CB-CD1 3.75Å; A157-L206 HydrophobicContact CB-CG 4.09Å; A157-C207 VanDerWaalsContact CB-SG 3.56Å |
| 158 | L | 86.8 | Confident | 86.1 | Confident | 8 Ų | 8 | 67.6 Ų | 67.6 | 4% | 0.042 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -87.4 | -10.9 | 178.6 | -64.5 | 172.4 | 0 | 0 | 0 | 113.7 | L154 L155 L156 P160 L161 L165 L184 L206 | L154-L158 HydrophobicContact CD1-CD1 3.86Å; L154-L158 HydrophobicContact CD1-CG 4.09Å; L154-L158 HydrophobicContact CD2-CD1 4.29Å; L154-L158 HydrophobicContact CG-CD1 3.75Å; L154-L158 HydrophobicContact CG-CG 4.32Å; L154-L158 VanDerWaalsContact O-CG 3.24Å; L154-L158 WeakPolarHBondContact O-CG 3.49Å; L154-L158 PolarHBondContact O-N 3.22Å; L155-L158 PolarHBondContact O-N 2.95Å; L156-L158 VanDerWaalsContact C-N 3.26Å; L156-L158 PolarHBondContact O-N 2.98Å; L158-P160 VanDerWaalsContact C-CD 3.41Å; L158-P160 VanDerWaalsContact C-N 3.35Å; L158-L161 HydrophobicContact CB-CD1 4.18Å; L158-L161 HydrophobicContact CD2-CD1 3.4Å; L158-L161 VanDerWaalsContact CD2-CD1 3.4Å; L158-L161 HydrophobicContact CG-CD1 4.38Å; L158-L161 VanDerWaalsContact O-CB 3.3Å; L158-L161 WeakPolarHBondContact O-CB 3.18Å; L158-L161 WeakPolarHBondContact O-CG 3.33Å; L158-L161 PolarHBondContact O-N 3.48Å; L158-L161 VanDerWaalsContact O-N 3.08Å; L158-L165 HydrophobicContact CB-CD2 4.34Å; L158-L165 HydrophobicContact CD1-CD2 3.91Å; L158-L184 HydrophobicContact CD1-CD1 3.94Å; L158-L184 HydrophobicContact CD1-CD2 3.53Å; L158-L184 HydrophobicContact CD1-CG 4.4Å; L158-L184 HydrophobicContact CD2-CD1 3.86Å; L158-L206 HydrophobicContact CD2-CD1 4.15Å; L158-L206 HydrophobicContact CD2-CD2 3.92Å |
| 159 | Q | 84 | Confident | 86.3 | Confident | 142 Ų | 142 | 67 Ų | 67 | 66% | 0.664 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -54.7 | -39.7 | -178.6 | -171.9 | 178.6 | -9 | 0 | 0 | 113.9 | L155 L156 L161 G162 | L155-Q159 PolarHBondContact O-N 3.31Å; L155-Q159 VanDerWaalsContact O-N 3.15Å; L156-Q159 WeakPolarHBondContact O-CB 3.46Å; L156-Q159 PolarHBondContact O-N 3.49Å; Q159-L161 PolarHBondContact O-N 3.4Å; Q159-G162 PolarHBondContact O-N 3.25Å |
| 160 | P | 84.1 | Confident | 86.4 | Confident | 113 Ų | 113 | 68 Ų | 68 | 73% | 0.734 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -66.6 | -16 | 178.5 | -21.9 | 35.1 | 0 | 0 | 0 | 114.8 | A157 L158 G162 | A157-P160 WeakPolarHBondContact O-CD 3.31Å; L158-P160 VanDerWaalsContact C-CD 3.41Å; L158-P160 VanDerWaalsContact C-N 3.35Å; P160-G162 PolarHBondContact O-N 2.91Å |
| 161 | L | 78.3 | Confident | 86.5 | Confident | 33 Ų | 33 | 65 Ų | 65 | 17% | 0.173 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -70.8 | -9.8 | -178.9 | -56.3 | 179.9 | 0 | 0 | 0 | 113.2 | L158 Q159 A195 A198 L199 | L158-L161 HydrophobicContact CB-CD1 4.18Å; L158-L161 HydrophobicContact CD2-CD1 3.4Å; L158-L161 VanDerWaalsContact CD2-CD1 3.4Å; L158-L161 HydrophobicContact CG-CD1 4.38Å; L158-L161 VanDerWaalsContact O-CB 3.3Å; L158-L161 WeakPolarHBondContact O-CB 3.18Å; L158-L161 WeakPolarHBondContact O-CG 3.33Å; L158-L161 PolarHBondContact O-N 3.48Å; L158-L161 VanDerWaalsContact O-N 3.08Å; Q159-L161 PolarHBondContact O-N 3.4Å; L161-A195 HydrophobicContact CB-CB 4.23Å; L161-A195 HydrophobicContact CD1-CB 4.23Å; L161-A198 HydrophobicContact CD2-CB 3.66Å; L161-L199 HydrophobicContact CD1-CD1 3.81Å; L161-L199 HydrophobicContact CD1-CD2 3.96Å; L161-L199 HydrophobicContact CD1-CG 3.83Å; L161-L199 HydrophobicContact CD2-CD2 4Å; L161-L199 HydrophobicContact CD2-CG 3.81Å |
| 162 | G | 74 | Confident | 86.4 | Confident | 37 Ų | 37 | 62.8 Ų | 62.8 | 38% | 0.381 | 36% | 0.363 | S | S | . | . | trans | 94.6 | 177.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q159 P160 | Q159-G162 PolarHBondContact O-N 3.25Å; P160-G162 PolarHBondContact O-N 2.91Å | ||
| 163 | P | 76.9 | Confident | 86.3 | Confident | 131 Ų | 131 | 59.6 Ų | 59.6 | 85% | 0.851 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -72.1 | 147 | -174.7 | 29.6 | -34.8 | 0 | 0 | 0 | 111.7 | ||
| 164 | G | 84.2 | Confident | 85.9 | Confident | 21 Ų | 21 | 60.1 Ų | 60.1 | 22% | 0.216 | 34% | 0.341 | C | S | . | . | trans | 125 | -3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q166 F186 S187 | G164-Q166 PolarHBondContact O-N 3.44Å; G164-F186 CarbonylContact O-C 3.45Å; G164-F186 VanDerWaalsContact O-CA 3.22Å; G164-F186 WeakPolarHBondContact O-CA 3.27Å; G164-S187 PolarHBondContact O-N 3.07Å; G164-S187 PolarHBondContact O-OG 2.92Å | ||
| 165 | L | 88.3 | Confident | 85.2 | Confident | 53 Ų | 53 | 61.7 Ų | 61.7 | 28% | 0.277 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 118 | 166.1 | -176.3 | 66.2 | 0 | 0 | 0 | 109.1 | L155 L158 E167 A168 L184 F186 | L155-L165 HydrophobicContact CD2-CD2 3.89Å; L158-L165 HydrophobicContact CB-CD2 4.34Å; L158-L165 HydrophobicContact CD1-CD2 3.91Å; L165-E167 WeakPolarHBondContact CD1-O 3.28Å; L165-A168 HydrophobicContact CD2-CB 4.29Å; L165-L184 HydrophobicContact CD1-CB 3.92Å; L165-L184 HydrophobicContact CD1-CD2 4.25Å; L165-F186 HydrophobicContact CB-CD1 4.36Å; L165-F186 HydrophobicContact CB-CE1 4.16Å; L165-F186 HydrophobicContact CD1-CD1 4.44Å; L165-F186 HydrophobicContact CD1-CE1 4.06Å; L165-F186 HydrophobicContact CD1-CE2 4.32Å; L165-F186 HydrophobicContact CD1-CZ 3.99Å |
| 166 | Q | 87.9 | Confident | 84.2 | Confident | 121 Ų | 121 | 65.7 Ų | 65.7 | 57% | 0.565 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -34.3 | 177.2 | -68.5 | -172.5 | -14.7 | 0 | 0 | 111.7 | G164 K185 S187 | G164-Q166 PolarHBondContact O-N 3.44Å; Q166-K185 PolarHBondContact N-O 3.08Å; Q166-S187 VanDerWaalsContact NE2-CA 3.34Å |
| 167 | E | 88.7 | Confident | 83.6 | Confident | 59 Ų | 59 | 63.3 Ų | 63.3 | 28% | 0.276 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 138 | -176.1 | -179.1 | 169.3 | -128.8 | 0 | 0 | 111 | L165 R169 L184 K185 | L165-E167 WeakPolarHBondContact CD1-O 3.28Å; E167-R169 HydrophobicContact CG-CG 4Å; E167-R169 IonicContact OE1-CZ 3.64Å; E167-R169 IonicContact OE1-NE 3.03Å; E167-R169 PolarHBondContact OE1-NE 3.46Å; E167-R169 VanDerWaalsContact OE1-NE 3.1Å; E167-R169 IonicContact OE1-NH1 3.5Å; E167-R169 PolarHBondContact OE1-NH1 3.18Å; E167-R169 IonicContact OE1-NH2 3.74Å; E167-R169 PolarHBondContact OE1-NH2 3.39Å; E167-R169 IonicContact OE2-CZ 3.75Å; E167-R169 VanDerWaalsContact OE2-CZ 3.32Å; E167-R169 IonicContact OE2-NE 3.34Å; E167-R169 PolarHBondContact OE2-NE 3.05Å; E167-R169 VanDerWaalsContact OE2-NE 3.15Å; E167-R169 IonicContact OE2-NH2 2.71Å; E167-R169 PolarHBondContact OE2-NH2 3.49Å; E167-L184 WeakPolarHBondContact O-CA 3.41Å; E167-K185 HydrophobicContact CB-CB 4.04Å; E167-K185 PolarHBondContact N-O 3.23Å; E167-K185 PolarHBondContact O-N 3.27Å |
| 168 | A | 91.6 | Very high | 83.2 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.008 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 125.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109 | R151 L154 L155 L165 L183 L184 | R151-A168 PolarHBondContact NE-O 2.98Å; L154-A168 HydrophobicContact CD2-CB 4.13Å; L155-A168 HydrophobicContact CD2-CB 3.89Å; L165-A168 HydrophobicContact CD2-CB 4.29Å; A168-L183 WeakPolarHBondContact CA-O 3.45Å; A168-L184 HydrophobicContact CB-CD2 3.7Å |
| 169 | R | 90.6 | Very high | 83.2 | Confident | 123 Ų | 123 | 67.6 Ų | 67.6 | 46% | 0.464 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 131.1 | 175.7 | -54.6 | -177.5 | -161.8 | -115.1 | 7.1 | 109.1 | E167 A182 L183 | E167-R169 HydrophobicContact CG-CG 4Å; E167-R169 IonicContact OE1-CZ 3.64Å; E167-R169 IonicContact OE1-NE 3.03Å; E167-R169 PolarHBondContact OE1-NE 3.46Å; E167-R169 VanDerWaalsContact OE1-NE 3.1Å; E167-R169 IonicContact OE1-NH1 3.5Å; E167-R169 PolarHBondContact OE1-NH1 3.18Å; E167-R169 IonicContact OE1-NH2 3.74Å; E167-R169 PolarHBondContact OE1-NH2 3.39Å; E167-R169 IonicContact OE2-CZ 3.75Å; E167-R169 VanDerWaalsContact OE2-CZ 3.32Å; E167-R169 IonicContact OE2-NE 3.34Å; E167-R169 PolarHBondContact OE2-NE 3.05Å; E167-R169 VanDerWaalsContact OE2-NE 3.15Å; E167-R169 IonicContact OE2-NH2 2.71Å; E167-R169 PolarHBondContact OE2-NH2 3.49Å; R169-A182 CarbonylContact O-C 3.58Å; R169-A182 VanDerWaalsContact O-CA 3.28Å; R169-A182 WeakPolarHBondContact O-CA 3.46Å; R169-L183 HydrophobicContact CB-CB 4.48Å; R169-L183 PolarHBondContact N-O 3.34Å; R169-L183 PolarHBondContact O-N 2.91Å |
| 170 | L | 91.4 | Very high | 83.5 | Confident | 36 Ų | 36 | 62.3 Ų | 62.3 | 19% | 0.188 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 133.8 | 170.3 | -77.9 | 166.3 | 0 | 0 | 0 | 109 | L145 L149 R151 L154 Q180 A182 | L145-L170 HydrophobicContact CD1-CD2 3.71Å; L149-L170 HydrophobicContact CD2-CD1 4.45Å; L149-L170 HydrophobicContact CD2-CD2 4.17Å; L149-L170 HydrophobicContact CG-CD1 4.3Å; R151-L170 HydrophobicContact CB-CD1 4.45Å; L154-L170 HydrophobicContact CB-CD1 4.24Å; L154-L170 HydrophobicContact CD2-CD1 4.15Å; L154-L170 HydrophobicContact CD2-CD2 3.86Å; L154-L170 HydrophobicContact CD2-CG 3.75Å; L170-Q180 HydrophobicContact CD2-CB 4.37Å; L170-A182 HydrophobicContact CD2-CB 3.94Å |
| 171 | L | 90.6 | Very high | 83.9 | Confident | 15 Ų | 15 | 57 Ų | 57 | 8% | 0.079 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 157.1 | 179.1 | -59.3 | 174.6 | 0 | 0 | 0 | 109.3 | S173 Q180 I181 L183 L224 L228 | L171-S173 PolarHBondContact O-N 3.39Å; L171-Q180 CarbonylContact O-C 3.53Å; L171-Q180 VanDerWaalsContact O-CA 3.24Å; L171-Q180 WeakPolarHBondContact O-CA 3.3Å; L171-I181 HydrophobicContact CB-CG2 3.97Å; L171-I181 PolarHBondContact N-O 3.4Å; L171-I181 PolarHBondContact O-N 2.87Å; L171-L183 HydrophobicContact CD1-CD1 3.8Å; L171-L183 HydrophobicContact CD1-CG 4.21Å; L171-L224 HydrophobicContact CB-CD2 4.44Å; L171-L224 HydrophobicContact CD1-CB 3.88Å; L171-L224 HydrophobicContact CD1-CD1 4.27Å; L171-L224 HydrophobicContact CD1-CD2 3.98Å; L171-L224 HydrophobicContact CD1-CG 4.26Å; L171-L228 HydrophobicContact CD1-CD1 4.27Å; L171-L228 HydrophobicContact CD2-CD1 4.02Å; L171-L228 HydrophobicContact CD2-CD2 3.56Å; L171-L228 HydrophobicContact CD2-CG 3.82Å |
| 172 | P | 87.9 | Confident | 84.6 | Confident | 90 Ų | 90 | 55.4 Ų | 55.4 | 58% | 0.584 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 135 | 165.9 | -21.6 | 33.7 | 0 | 0 | 0 | 110.2 | ||
| 173 | S | 87 | Confident | 85.5 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 13% | 0.133 | 33% | 0.332 | C | S | . | . | trans | -66.7 | 134.2 | 176.8 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | D143 L171 G175 G179 | D143-S173 WeakPolarHBondContact OD1-CB 3.44Å; D143-S173 PolarHBondContact OD1-OG 2.67Å; D143-S173 PolarHBondContact OD2-OG 2.99Å; L171-S173 PolarHBondContact O-N 3.39Å; S173-G175 PolarHBondContact O-N 3.36Å; S173-G175 PolarHBondContact OG-N 2.99Å; S173-G179 WeakPolarHBondContact CB-O 3.46Å; S173-G179 PolarHBondContact N-O 2.95Å | ||
| 174 | P | 79.7 | Confident | 86.3 | Confident | 48 Ų | 48 | 48.7 Ų | 48.7 | 31% | 0.312 | 29% | 0.292 | S | S | . | . | trans | -79.9 | 1.5 | 174.5 | 33.7 | -34.5 | 0 | 0 | 0 | 112.7 | L220 L224 | P174-L220 HydrophobicContact CG-CD1 3.75Å; P174-L224 HydrophobicContact CG-CD2 4.22Å | ||
| 175 | G | 73.3 | Confident | 86.7 | Confident | 33 Ų | 33 | 51.7 Ų | 51.7 | 34% | 0.34 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -73.1 | 173 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S173 A177 | S173-G175 PolarHBondContact O-N 3.36Å; S173-G175 PolarHBondContact OG-N 2.99Å; G175-A177 VanDerWaalsContact C-N 3.27Å; G175-A177 PolarHBondContact O-N 2.89Å |
| 176 | P | 68.6 | Low | 86.7 | Confident | 147 Ų | 147 | 49.6 Ų | 49.6 | 96% | 0.955 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -70.9 | -22 | 179.3 | 28.6 | -34.2 | 0 | 0 | 0 | 113.2 | ||
| 177 | A | 75.4 | Confident | 86.5 | Confident | 67 Ų | 67 | 45.8 Ų | 45.8 | 55% | 0.554 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -90.3 | 135.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | G175 G179 | G175-A177 VanDerWaalsContact C-N 3.27Å; G175-A177 PolarHBondContact O-N 2.89Å; A177-G179 PolarHBondContact O-N 3.3Å |
| 178 | P | 78.4 | Confident | 86.1 | Confident | 119 Ų | 119 | 43.7 Ų | 43.7 | 77% | 0.773 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -66.3 | 118.7 | 175.4 | 28.3 | -33.2 | 0 | 0 | 0 | 109.5 | L147 | L147-P178 HydrophobicContact CD1-CB 4.3Š|
| 179 | G | 86.6 | Confident | 85.6 | Confident | 11 Ų | 11 | 46 Ų | 46 | 11% | 0.113 | 28% | 0.277 | C | S | . | . | trans | -173.2 | -173.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S173 A177 | S173-G179 WeakPolarHBondContact CB-O 3.46Å; S173-G179 PolarHBondContact N-O 2.95Å; A177-G179 PolarHBondContact O-N 3.3Å | ||
| 180 | Q | 91.1 | Very high | 85.1 | Confident | 31 Ų | 31 | 46.6 Ų | 46.6 | 15% | 0.145 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 153.4 | 176 | -69.8 | -178.1 | -11.6 | 0 | 0 | 111.5 | L145 P146 L147 L149 L170 L171 | L145-Q180 HydrophobicContact CB-CB 3.94Å; L145-Q180 WeakPolarHBondContact CB-O 3.23Å; L145-Q180 PolarHBondContact N-O 3.4Å; L145-Q180 PolarHBondContact O-N 2.76Å; P146-Q180 PolarHBondContact O-OE1 2.95Å; L147-Q180 HydrophobicContact CD2-CG 4.43Å; L147-Q180 PolarHBondContact O-NE2 3.17Å; L149-Q180 PolarHBondContact O-OE1 3.03Å; L170-Q180 HydrophobicContact CD2-CB 4.37Å; L171-Q180 CarbonylContact O-C 3.53Å; L171-Q180 VanDerWaalsContact O-CA 3.24Å; L171-Q180 WeakPolarHBondContact O-CA 3.3Å |
| 181 | I | 91.8 | Very high | 84.8 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 131.2 | 171 | -168.2 | 170.8 | 0 | 0 | 0 | 109.3 | V142 D143 L171 L220 L224 | V142-I181 CarbonylContact O-C 3.52Å; V142-I181 WeakPolarHBondContact O-CA 3.44Å; V142-I181 WeakPolarHBondContact O-CG1 3.45Å; D143-I181 HydrophobicContact CB-CD1 4.07Å; D143-I181 HydrophobicContact CB-CG1 4.02Å; L171-I181 HydrophobicContact CB-CG2 3.97Å; L171-I181 PolarHBondContact N-O 3.4Å; L171-I181 PolarHBondContact O-N 2.87Å; I181-L220 HydrophobicContact CD1-CD2 4Å; I181-L224 HydrophobicContact CG2-CD1 4.43Å; I181-L224 HydrophobicContact CG2-CD2 3.93Å |
| 182 | A | 93 | Very high | 84.7 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 127.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S141 V142 L145 L154 R169 L170 L184 | S141-A182 WeakPolarHBondContact CA-O 3.47Å; V142-A182 HydrophobicContact CB-CB 4.26Å; V142-A182 PolarHBondContact N-O 3.4Å; V142-A182 PolarHBondContact O-N 3.21Å; L145-A182 HydrophobicContact CD1-CB 3.46Å; L145-A182 VanDerWaalsContact CD1-CB 3.46Å; L154-A182 HydrophobicContact CD1-CB 4.23Å; L154-A182 HydrophobicContact CD2-CB 3.73Å; R169-A182 CarbonylContact O-C 3.58Å; R169-A182 VanDerWaalsContact O-CA 3.28Å; R169-A182 WeakPolarHBondContact O-CA 3.46Å; L170-A182 HydrophobicContact CD2-CB 3.94Å; A182-L184 HydrophobicContact CB-CD2 4.13Å |
| 183 | L | 93.5 | Very high | 84.7 | Confident | 25 Ų | 25 | 42.3 Ų | 42.3 | 13% | 0.131 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 117.8 | 167.4 | -64 | -172.6 | 0 | 0 | 0 | 109.5 | A168 R169 L171 L216 L224 | A168-L183 WeakPolarHBondContact CA-O 3.45Å; R169-L183 HydrophobicContact CB-CB 4.48Å; R169-L183 PolarHBondContact N-O 3.34Å; R169-L183 PolarHBondContact O-N 2.91Å; L171-L183 HydrophobicContact CD1-CD1 3.8Å; L171-L183 HydrophobicContact CD1-CG 4.21Å; L183-L216 HydrophobicContact CD2-CD1 3.65Å; L183-L216 HydrophobicContact CD2-CD2 4.07Å; L183-L216 HydrophobicContact CD2-CG 4.48Å; L183-L224 HydrophobicContact CD1-CB 4.41Å; L183-L224 HydrophobicContact CD1-CD1 3.71Å; L183-L224 HydrophobicContact CD2-CD1 3.59Å; L183-L224 HydrophobicContact CG-CD1 3.92Å |
| 184 | L | 93.4 | Very high | 84.7 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 124.5 | -177.5 | -51.9 | -176.4 | 0 | 0 | 0 | 109.6 | E139 L140 V142 L158 L165 E167 A168 A182 F186 | E139-L184 CarbonylContact C-O 3.53Å; E139-L184 VanDerWaalsContact CA-O 3.24Å; E139-L184 WeakPolarHBondContact CA-O 3.49Å; L140-L184 HydrophobicContact CB-CB 4.36Å; L140-L184 PolarHBondContact N-O 3.29Å; L140-L184 PolarHBondContact O-N 3.48Å; V142-L184 HydrophobicContact CG2-CD1 3.75Å; V142-L184 HydrophobicContact CG2-CG 4.33Å; L158-L184 HydrophobicContact CD1-CD1 3.94Å; L158-L184 HydrophobicContact CD1-CD2 3.53Å; L158-L184 HydrophobicContact CD1-CG 4.4Å; L158-L184 HydrophobicContact CD2-CD1 3.86Å; L165-L184 HydrophobicContact CD1-CB 3.92Å; L165-L184 HydrophobicContact CD1-CD2 4.25Å; E167-L184 WeakPolarHBondContact O-CA 3.41Å; A168-L184 HydrophobicContact CB-CD2 3.7Å; A182-L184 HydrophobicContact CB-CD2 4.13Å; L184-F186 HydrophobicContact CB-CD2 4.42Å; L184-F186 HydrophobicContact CB-CE2 3.6Å; L184-F186 HydrophobicContact CB-CZ 4.13Å; L184-F186 HydrophobicContact CD1-CE2 4.37Å; L184-F186 HydrophobicContact CD1-CZ 4.25Å |
| 185 | K | 91.3 | Very high | 85.1 | Confident | 84 Ų | 84 | 43 Ų | 43 | 37% | 0.365 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 126.6 | 174.2 | -174.9 | -177 | 176.9 | -175.7 | 0 | 109.6 | E139 Q166 E167 | E139-K185 HydrophobicContact CG-CB 4.34Å; E139-K185 HydrophobicContact CG-CG 4.17Å; Q166-K185 PolarHBondContact N-O 3.08Å; E167-K185 HydrophobicContact CB-CB 4.04Å; E167-K185 PolarHBondContact N-O 3.23Å; E167-K185 PolarHBondContact O-N 3.27Å |
| 186 | F | 90 | Very high | 85.9 | Confident | 9 Ų | 9 | 44 Ų | 44 | 4% | 0.039 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 160.3 | 179.1 | -63.7 | -95.1 | 0 | 0 | 0 | 111.9 | C138 L140 G164 L165 L184 S188 A191 A192 A195 | C138-F186 PolarHBondContact O-N 3.26Å; L140-F186 HydrophobicContact CB-CE2 4.38Å; L140-F186 HydrophobicContact CD1-CE2 3.71Å; L140-F186 HydrophobicContact CD1-CZ 4.23Å; L140-F186 HydrophobicContact CG-CD2 4.49Å; L140-F186 HydrophobicContact CG-CE2 3.97Å; G164-F186 CarbonylContact O-C 3.45Å; G164-F186 VanDerWaalsContact O-CA 3.22Å; G164-F186 WeakPolarHBondContact O-CA 3.27Å; L165-F186 HydrophobicContact CB-CD1 4.36Å; L165-F186 HydrophobicContact CB-CE1 4.16Å; L165-F186 HydrophobicContact CD1-CD1 4.44Å; L165-F186 HydrophobicContact CD1-CE1 4.06Å; L165-F186 HydrophobicContact CD1-CE2 4.32Å; L165-F186 HydrophobicContact CD1-CZ 3.99Å; L184-F186 HydrophobicContact CB-CD2 4.42Å; L184-F186 HydrophobicContact CB-CE2 3.6Å; L184-F186 HydrophobicContact CB-CZ 4.13Å; L184-F186 HydrophobicContact CD1-CE2 4.37Å; L184-F186 HydrophobicContact CD1-CZ 4.25Å; F186-S188 PolarHBondContact O-N 3.08Å; F186-A191 HydrophobicContact CB-CB 4.08Å; F186-A191 HydrophobicContact CD1-CB 4.14Å; F186-A191 HydrophobicContact CG-CB 4.48Å; F186-A192 HydrophobicContact CB-CB 3.93Å; F186-A192 HydrophobicContact CD2-CB 3.63Å; F186-A192 HydrophobicContact CE2-CB 4.38Å; F186-A192 HydrophobicContact CG-CB 3.88Å; F186-A195 HydrophobicContact CD1-CB 4.37Å; F186-A195 HydrophobicContact CE1-CB 3.48Å; F186-A195 VanDerWaalsContact CE1-CB 3.48Å; F186-A195 HydrophobicContact CE2-CB 4.19Å; F186-A195 HydrophobicContact CZ-CB 3.37Å |
| 187 | S | 83.4 | Confident | 86.8 | Confident | 41 Ų | 41 | 40.8 Ų | 40.8 | 29% | 0.287 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -71.6 | -15.9 | 178.9 | 63.7 | 0 | 0 | 0 | 0 | 114.3 | G164 Q166 | G164-S187 PolarHBondContact O-N 3.07Å; G164-S187 PolarHBondContact O-OG 2.92Å; Q166-S187 VanDerWaalsContact NE2-CA 3.34Å |
| 188 | S | 78.8 | Confident | 87.3 | Confident | 16 Ų | 16 | 40 Ų | 40 | 11% | 0.112 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -158.7 | 158.3 | 179.4 | 65.4 | 0 | 0 | 0 | 0 | 111.7 | F186 R190 A191 A192 | F186-S188 PolarHBondContact O-N 3.08Å; S188-R190 PolarHBondContact O-N 3.33Å; S188-A191 PolarHBondContact O-N 3.16Å; S188-A191 WeakPolarHBondContact OG-CB 3.4Å; S188-A191 PolarHBondContact OG-N 3.38Å; S188-A191 VanDerWaalsContact OG-N 3.11Å; S188-A192 PolarHBondContact O-N 3.48Å |
| 189 | H | 83 | Confident | 87.7 | Confident | 50 Ų | 50 | 34.8 Ų | 34.8 | 23% | 0.231 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.4 | -38.8 | 173.5 | 178.3 | 56.9 | 0 | 0 | 0 | 111.6 | K137 C138 A192 A193 W215 | K137-H189 PolarHBondContact O-ND1 3.17Å; C138-H189 PolarHBondContact SG-N 3.07Å; H189-A192 PolarHBondContact O-N 2.88Å; H189-A193 VanDerWaalsContact O-CB 3.27Å; H189-A193 WeakPolarHBondContact O-CB 3.07Å; H189-A193 PolarHBondContact O-N 2.87Å; H189-W215 AromaticContact CE1-CH2 3.6Å; H189-W215 AromaticContact CE1-CZ2 3.9Å; H189-W215 AromaticContact ND1-CH2 3.85Å |
| 190 | R | 78.8 | Confident | 87.7 | Confident | 135 Ų | 135 | 37.4 Ų | 37.4 | 51% | 0.509 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.5 | -48 | 176.3 | 179.6 | 178.9 | 175.5 | -111.8 | -4.3 | 111.7 | S188 A192 A193 M194 | S188-R190 PolarHBondContact O-N 3.33Å; R190-A192 VanDerWaalsContact C-N 3.33Å; R190-A192 PolarHBondContact O-N 2.86Å; R190-A193 PolarHBondContact O-N 3.34Å; R190-M194 HydrophobicContact CG-CG 4.37Å; R190-M194 WeakPolarHBondContact O-CB 3.43Å; R190-M194 WeakPolarHBondContact O-CG 3.16Å; R190-M194 PolarHBondContact O-N 2.84Å |
| 191 | A | 84.8 | Confident | 87.1 | Confident | 17 Ų | 17 | 42.6 Ų | 42.6 | 14% | 0.14 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60 | -45.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F186 S188 A193 M194 A195 | F186-A191 HydrophobicContact CB-CB 4.08Å; F186-A191 HydrophobicContact CD1-CB 4.14Å; F186-A191 HydrophobicContact CG-CB 4.48Å; S188-A191 PolarHBondContact O-N 3.16Å; S188-A191 WeakPolarHBondContact OG-CB 3.4Å; S188-A191 PolarHBondContact OG-N 3.38Å; S188-A191 VanDerWaalsContact OG-N 3.11Å; A191-A193 PolarHBondContact O-N 3.39Å; A191-M194 PolarHBondContact O-N 3.07Å; A191-A195 VanDerWaalsContact O-CB 3.31Å; A191-A195 WeakPolarHBondContact O-CB 3.09Å; A191-A195 PolarHBondContact O-N 2.83Å |
| 192 | A | 90.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -41.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L140 F186 S188 H189 R190 A195 K196 W215 | L140-A192 HydrophobicContact CG-CB 4.49Å; F186-A192 HydrophobicContact CB-CB 3.93Å; F186-A192 HydrophobicContact CD2-CB 3.63Å; F186-A192 HydrophobicContact CE2-CB 4.38Å; F186-A192 HydrophobicContact CG-CB 3.88Å; S188-A192 PolarHBondContact O-N 3.48Å; H189-A192 PolarHBondContact O-N 2.88Å; R190-A192 VanDerWaalsContact C-N 3.33Å; R190-A192 PolarHBondContact O-N 2.86Å; A192-A195 PolarHBondContact O-N 2.65Å; A192-K196 WeakPolarHBondContact O-CB 3.01Å; A192-K196 PolarHBondContact O-N 3.41Å; A192-W215 HydrophobicContact CB-CH2 4.13Å; A192-W215 HydrophobicContact CB-CZ3 3.69Å |
| 193 | A | 87.3 | Confident | 84 | Confident | 33 Ų | 33 | 52.5 Ų | 52.5 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.2 | -40.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | H189 R190 A191 K197 W215 | H189-A193 VanDerWaalsContact O-CB 3.27Å; H189-A193 WeakPolarHBondContact O-CB 3.07Å; H189-A193 PolarHBondContact O-N 2.87Å; R190-A193 PolarHBondContact O-N 3.34Å; A191-A193 PolarHBondContact O-N 3.39Å; A193-K197 VanDerWaalsContact O-CB 3.31Å; A193-K197 WeakPolarHBondContact O-CB 3.48Å; A193-K197 PolarHBondContact O-N 3.02Å; A193-W215 HydrophobicContact CB-CH2 3.89Å; A193-W215 HydrophobicContact CB-CZ2 4.23Å |
| 194 | M | 85.7 | Confident | 82.9 | Confident | 83 Ų | 83 | 53 Ų | 53 | 41% | 0.409 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.4 | -43.7 | 174.8 | -70.5 | -60.6 | -56.9 | 0 | 0 | 111.3 | R190 A191 K197 A198 | R190-M194 HydrophobicContact CG-CG 4.37Å; R190-M194 WeakPolarHBondContact O-CB 3.43Å; R190-M194 WeakPolarHBondContact O-CG 3.16Å; R190-M194 PolarHBondContact O-N 2.84Å; A191-M194 PolarHBondContact O-N 3.07Å; M194-K197 WeakPolarHBondContact O-CB 3.3Å; M194-K197 PolarHBondContact O-N 2.85Å; M194-A198 WeakPolarHBondContact O-CB 3.15Å; M194-A198 PolarHBondContact O-N 2.92Å |
| 195 | A | 89.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L140 L161 F186 A191 A192 K197 A198 L199 | L140-A195 HydrophobicContact CD1-CB 4.27Å; L161-A195 HydrophobicContact CB-CB 4.23Å; L161-A195 HydrophobicContact CD1-CB 4.23Å; F186-A195 HydrophobicContact CD1-CB 4.37Å; F186-A195 HydrophobicContact CE1-CB 3.48Å; F186-A195 VanDerWaalsContact CE1-CB 3.48Å; F186-A195 HydrophobicContact CE2-CB 4.19Å; F186-A195 HydrophobicContact CZ-CB 3.37Å; A191-A195 VanDerWaalsContact O-CB 3.31Å; A191-A195 WeakPolarHBondContact O-CB 3.09Å; A191-A195 PolarHBondContact O-N 2.83Å; A192-A195 PolarHBondContact O-N 2.65Å; A195-K197 VanDerWaalsContact C-N 3.34Å; A195-K197 PolarHBondContact O-N 2.89Å; A195-A198 PolarHBondContact O-N 3.02Å; A195-L199 WeakPolarHBondContact O-CB 3.35Å; A195-L199 VanDerWaalsContact O-CG 3.28Å; A195-L199 WeakPolarHBondContact O-CG 3.49Å; A195-L199 PolarHBondContact O-N 3.46Å |
| 196 | K | 90.4 | Very high | 81.6 | Confident | 53 Ų | 53 | 54.2 Ų | 54.2 | 23% | 0.23 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.9 | -47.2 | 174.3 | -175.7 | 179.6 | -177.4 | -170.6 | 0 | 111.4 | L140 A192 L199 V200 V213 W215 | L140-K196 HydrophobicContact CD1-CB 3.81Å; L140-K196 HydrophobicContact CD2-CB 3.93Å; L140-K196 HydrophobicContact CD2-CD 4.13Å; L140-K196 HydrophobicContact CD2-CG 4.27Å; A192-K196 WeakPolarHBondContact O-CB 3.01Å; A192-K196 PolarHBondContact O-N 3.41Å; K196-L199 PolarHBondContact O-N 2.88Å; K196-V200 HydrophobicContact CG-CG2 4.21Å; K196-V200 WeakPolarHBondContact O-CB 3.44Å; K196-V200 VanDerWaalsContact O-CG2 3.31Å; K196-V200 WeakPolarHBondContact O-CG2 3.34Å; K196-V200 PolarHBondContact O-N 3.14Å; K196-V213 HydrophobicContact CG-CG1 4.06Å; K196-W215 HydrophobicContact CD-CD2 4.18Å; K196-W215 HydrophobicContact CD-CZ2 3.96Å; K196-W215 VanDerWaalsContact NZ-CD1 3.33Å |
| 197 | K | 86.7 | Confident | 81.1 | Confident | 80 Ų | 80 | 56.5 Ų | 56.5 | 35% | 0.348 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.5 | -49.8 | 179 | -174 | -178.9 | 178.2 | -178.7 | 0 | 110.9 | A193 M194 A195 L199 V200 E201 | A193-K197 VanDerWaalsContact O-CB 3.31Å; A193-K197 WeakPolarHBondContact O-CB 3.48Å; A193-K197 PolarHBondContact O-N 3.02Å; M194-K197 WeakPolarHBondContact O-CB 3.3Å; M194-K197 PolarHBondContact O-N 2.85Å; A195-K197 VanDerWaalsContact C-N 3.34Å; A195-K197 PolarHBondContact O-N 2.89Å; K197-L199 VanDerWaalsContact C-N 3.33Å; K197-L199 PolarHBondContact O-N 2.78Å; K197-V200 PolarHBondContact O-N 2.84Å; K197-E201 VanDerWaalsContact CE-OE1 3.23Å; K197-E201 WeakPolarHBondContact CE-OE1 3.21Å; K197-E201 WeakPolarHBondContact CE-OE2 3.39Å; K197-E201 VanDerWaalsContact CG-CD 3.45Å; K197-E201 HydrophobicContact CG-CG 4.2Å; K197-E201 WeakPolarHBondContact CG-OE1 3.24Å; K197-E201 WeakPolarHBondContact CG-OE2 3.48Å; K197-E201 IonicContact NZ-OE2 3.91Å; K197-E201 WeakPolarHBondContact O-CB 3.49Å; K197-E201 PolarHBondContact O-N 2.96Å |
| 198 | A | 86.4 | Confident | 80.7 | Confident | 49 Ų | 49 | 57.6 Ų | 57.6 | 41% | 0.405 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L161 M194 A195 G202 | L161-A198 HydrophobicContact CD2-CB 3.66Å; M194-A198 WeakPolarHBondContact O-CB 3.15Å; M194-A198 PolarHBondContact O-N 2.92Å; A195-A198 PolarHBondContact O-N 3.02Å; A198-G202 WeakPolarHBondContact O-CA 3.33Å; A198-G202 PolarHBondContact O-N 3.42Å; A198-G202 VanDerWaalsContact O-N 3.08Å |
| 199 | L | 86.9 | Confident | 80.8 | Confident | 10 Ų | 10 | 61.6 Ų | 61.6 | 5% | 0.052 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.6 | -43.3 | 177.4 | -72.5 | 165.9 | 0 | 0 | 0 | 112.7 | V142 L161 A195 K196 K197 S204 L206 V213 | V142-L199 HydrophobicContact CG2-CD1 4.2Å; L161-L199 HydrophobicContact CD1-CD1 3.81Å; L161-L199 HydrophobicContact CD1-CD2 3.96Å; L161-L199 HydrophobicContact CD1-CG 3.83Å; L161-L199 HydrophobicContact CD2-CD2 4Å; L161-L199 HydrophobicContact CD2-CG 3.81Å; A195-L199 WeakPolarHBondContact O-CB 3.35Å; A195-L199 VanDerWaalsContact O-CG 3.28Å; A195-L199 WeakPolarHBondContact O-CG 3.49Å; A195-L199 PolarHBondContact O-N 3.46Å; K196-L199 PolarHBondContact O-N 2.88Å; K197-L199 VanDerWaalsContact C-N 3.33Å; K197-L199 PolarHBondContact O-N 2.78Å; L199-S204 WeakPolarHBondContact O-CA 3.21Å; L199-S204 PolarHBondContact O-N 3.17Å; L199-L206 HydrophobicContact CD2-CD1 4.06Å; L199-V213 HydrophobicContact CB-CB 4.37Å; L199-V213 HydrophobicContact CB-CG1 4.23Å; L199-V213 HydrophobicContact CB-CG2 3.76Å; L199-V213 HydrophobicContact CD1-CG1 3.94Å; L199-V213 HydrophobicContact CD1-CG2 4.15Å; L199-V213 HydrophobicContact CG-CG2 4.44Å |
| 200 | V | 86.3 | Confident | 80.9 | Confident | 67 Ų | 67 | 66.1 Ų | 66.1 | 41% | 0.406 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -78.5 | -49.7 | -175.8 | 174.6 | 0 | 0 | 0 | 0 | 112.1 | K196 K197 S204 V213 | K196-V200 HydrophobicContact CG-CG2 4.21Å; K196-V200 WeakPolarHBondContact O-CB 3.44Å; K196-V200 VanDerWaalsContact O-CG2 3.31Å; K196-V200 WeakPolarHBondContact O-CG2 3.34Å; K196-V200 PolarHBondContact O-N 3.14Å; K197-V200 PolarHBondContact O-N 2.84Å; V200-S204 PolarHBondContact O-OG 3Å; V200-V213 HydrophobicContact CG2-CB 3.99Å |
| 201 | E | 78.4 | Confident | 81.4 | Confident | 140 Ų | 140 | 60.1 Ų | 60.1 | 65% | 0.654 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -81.4 | -25.4 | -174.7 | -63.4 | 178.5 | -172.2 | 0 | 0 | 112.9 | K197 | K197-E201 VanDerWaalsContact CE-OE1 3.23Å; K197-E201 WeakPolarHBondContact CE-OE1 3.21Å; K197-E201 WeakPolarHBondContact CE-OE2 3.39Å; K197-E201 VanDerWaalsContact CG-CD 3.45Å; K197-E201 HydrophobicContact CG-CG 4.2Å; K197-E201 WeakPolarHBondContact CG-OE1 3.24Å; K197-E201 WeakPolarHBondContact CG-OE2 3.48Å; K197-E201 IonicContact NZ-OE2 3.91Å; K197-E201 WeakPolarHBondContact O-CB 3.49Å; K197-E201 PolarHBondContact O-N 2.96Å |
| 202 | G | 60.4 | Low | 81.5 | Confident | 50 Ų | 50 | 62.2 Ų | 62.2 | 52% | 0.515 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -81.7 | -23.9 | -170 | 0 | 0 | 0 | 0 | 0 | 115.5 | A198 | A198-G202 WeakPolarHBondContact O-CA 3.33Å; A198-G202 PolarHBondContact O-N 3.42Å; A198-G202 VanDerWaalsContact O-N 3.08Å |
| 203 | Q | 58.7 | Low | 81.6 | Confident | 158 Ų | 158 | 63 Ų | 63 | 74% | 0.738 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 170.6 | -6.3 | 168.8 | -101.4 | 156.4 | 2.8 | 0 | 0 | 112.9 | H205 | Q203-H205 PolarHBondContact O-CE1 3.43Å; Q203-H205 PolarHBondContact O-N 3.25Å; Q203-H205 PolarHBondContact O-ND1 2.99Å |
| 204 | S | 69.9 | Low | 81.8 | Confident | 35 Ų | 35 | 65.4 Ų | 65.4 | 25% | 0.245 | 37% | 0.37 | C | S | . | . | S | Bend | trans | 52.3 | 23.7 | -173.5 | -59.9 | 0 | 0 | 0 | 0 | 114 | L199 V200 Q210 V211 | L199-S204 WeakPolarHBondContact O-CA 3.21Å; L199-S204 PolarHBondContact O-N 3.17Å; V200-S204 PolarHBondContact O-OG 3Å; S204-Q210 CarbonylContact O-C 3.48Å; S204-Q210 WeakPolarHBondContact O-CA 3.27Å; S204-V211 PolarHBondContact O-N 2.73Å |
| 205 | H | 77.4 | Confident | 82 | Confident | 102 Ų | 102 | 64.5 Ų | 64.5 | 47% | 0.472 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 136.1 | 174.2 | -65.8 | 80 | 0 | 0 | 0 | 109.9 | Q203 E209 | Q203-H205 PolarHBondContact O-CE1 3.43Å; Q203-H205 PolarHBondContact O-N 3.25Å; Q203-H205 PolarHBondContact O-ND1 2.99Å; H205-E209 CarbonylContact C-O 3.52Å; H205-E209 WeakPolarHBondContact CA-O 3.49Å |
| 206 | L | 80.3 | Confident | 82.1 | Confident | 10 Ų | 10 | 65.8 Ų | 65.8 | 5% | 0.052 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 129.3 | 171.8 | -165.4 | 71.7 | 0 | 0 | 0 | 107.9 | V142 L145 L154 A157 L158 L199 G208 E209 V211 | V142-L206 HydrophobicContact CG1-CD2 4.18Å; L145-L206 HydrophobicContact CD2-CB 4.37Å; L145-L206 HydrophobicContact CD2-CD2 3.99Å; L154-L206 HydrophobicContact CD1-CD2 3.7Å; A157-L206 HydrophobicContact CB-CD1 3.75Å; A157-L206 HydrophobicContact CB-CG 4.09Å; L158-L206 HydrophobicContact CD2-CD1 4.15Å; L158-L206 HydrophobicContact CD2-CD2 3.92Å; L199-L206 HydrophobicContact CD2-CD1 4.06Å; L206-G208 PolarHBondContact O-N 2.95Å; L206-E209 PolarHBondContact N-O 3.49Å; L206-E209 PolarHBondContact O-N 3.37Å; L206-V211 HydrophobicContact CB-CB 4.5Å; L206-V211 HydrophobicContact CB-CG1 3.77Å; L206-V211 HydrophobicContact CB-CG2 3.92Å |
| 207 | C | 79.3 | Confident | 81.9 | Confident | 58 Ų | 58 | 68.1 Ų | 68.1 | 39% | 0.392 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 29.7 | -174.2 | -50.2 | 0 | 0 | 0 | 0 | 114 | L149 A157 E209 | L149-C207 HydrophobicContact CD1-CB 4.14Å; L149-C207 VanDerWaalsContact CD1-SG 3.54Å; A157-C207 VanDerWaalsContact CB-SG 3.56Å; C207-E209 VanDerWaalsContact C-N 3.28Å; C207-E209 PolarHBondContact O-N 3.35Å |
| 208 | G | 76.3 | Confident | 81.7 | Confident | 64 Ų | 64 | 68.9 Ų | 68.9 | 66% | 0.66 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | -9.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | L206 | L206-G208 PolarHBondContact O-N 2.95Š|
| 209 | E | 81.1 | Confident | 81.6 | Confident | 99 Ų | 99 | 71.6 Ų | 71.6 | 46% | 0.463 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 147 | -179.1 | -64.1 | -57.5 | 148.4 | 0 | 0 | 111.9 | P146 H205 L206 C207 V211 | P146-E209 HydrophobicContact CB-CG 4.43Å; P146-E209 HydrophobicContact CG-CG 4.08Å; H205-E209 CarbonylContact C-O 3.52Å; H205-E209 WeakPolarHBondContact CA-O 3.49Å; L206-E209 PolarHBondContact N-O 3.49Å; L206-E209 PolarHBondContact O-N 3.37Å; C207-E209 VanDerWaalsContact C-N 3.28Å; C207-E209 PolarHBondContact O-N 3.35Å; E209-V211 PolarHBondContact O-N 3.32Å |
| 210 | Q | 84.2 | Confident | 81.5 | Confident | 145 Ų | 145 | 72 Ų | 72 | 68% | 0.678 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 123 | 173 | -172.4 | 176.4 | 41.1 | 0 | 0 | 110 | S204 | S204-Q210 CarbonylContact O-C 3.48Å; S204-Q210 WeakPolarHBondContact O-CA 3.27Å |
| 211 | V | 88.5 | Confident | 81.4 | Confident | 10 Ų | 10 | 71.2 Ų | 71.2 | 6% | 0.061 | 39% | 0.393 | C | S | . | . | trans | -115.2 | 143.9 | -175.5 | -65.6 | 0 | 0 | 0 | 0 | 113.1 | V142 D143 L145 S204 L206 E209 V213 | V142-V211 HydrophobicContact CG1-CB 3.72Å; V142-V211 HydrophobicContact CG1-CG1 3.98Å; V142-V211 HydrophobicContact CG1-CG2 3.99Å; D143-V211 CarbonylContact O-C 3.59Å; D143-V211 VanDerWaalsContact O-CA 3.3Å; D143-V211 WeakPolarHBondContact O-CA 2.98Å; D143-V211 WeakPolarHBondContact O-CB 3.4Å; L145-V211 HydrophobicContact CD2-CG1 3.61Å; L145-V211 HydrophobicContact CG-CG1 4.42Å; S204-V211 PolarHBondContact O-N 2.73Å; L206-V211 HydrophobicContact CB-CB 4.5Å; L206-V211 HydrophobicContact CB-CG1 3.77Å; L206-V211 HydrophobicContact CB-CG2 3.92Å; E209-V211 PolarHBondContact O-N 3.32Å; V211-V213 HydrophobicContact CG2-CG2 4Å | ||
| 212 | A | 88.8 | Confident | 81.6 | Confident | 60 Ų | 60 | 70 Ų | 70 | 50% | 0.496 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 114.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V142 D143 | V142-A212 WeakPolarHBondContact CA-O 3.33Å; D143-A212 HydrophobicContact CB-CB 4.37Å; D143-A212 PolarHBondContact N-O 3.34Å; D143-A212 PolarHBondContact O-N 2.89Å |
| 213 | V | 91.3 | Very high | 82.7 | Confident | 16 Ų | 16 | 73.7 Ų | 73.7 | 10% | 0.097 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 112.2 | -177.3 | -172.3 | 0 | 0 | 0 | 0 | 111.8 | L140 S141 V142 K196 L199 V200 V211 | L140-V213 HydrophobicContact CD1-CG1 4.37Å; S141-V213 WeakPolarHBondContact O-CA 3.27Å; V142-V213 HydrophobicContact CG1-CG2 4.19Å; V142-V213 HydrophobicContact CG2-CG1 4.29Å; V142-V213 HydrophobicContact CG2-CG2 4.2Å; K196-V213 HydrophobicContact CG-CG1 4.06Å; L199-V213 HydrophobicContact CB-CB 4.37Å; L199-V213 HydrophobicContact CB-CG1 4.23Å; L199-V213 HydrophobicContact CB-CG2 3.76Å; L199-V213 HydrophobicContact CD1-CG1 3.94Å; L199-V213 HydrophobicContact CD1-CG2 4.15Å; L199-V213 HydrophobicContact CG-CG2 4.44Å; V200-V213 HydrophobicContact CG2-CB 3.99Å; V211-V213 HydrophobicContact CG2-CG2 4Å |
| 214 | E | 90.7 | Very high | 83.8 | Confident | 85 Ų | 85 | 66.2 Ų | 66.2 | 40% | 0.397 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 160.5 | 179.2 | -68.1 | -158.9 | 136 | 0 | 0 | 112.8 | L140 S141 K217 | L140-E214 WeakPolarHBondContact CA-O 3.39Å; S141-E214 PolarHBondContact N-O 2.78Å; S141-E214 PolarHBondContact O-N 2.71Å; E214-K217 VanDerWaalsContact CD-NZ 3.26Å; E214-K217 IonicContact OE1-NZ 2.63Å; E214-K217 PolarHBondContact OE1-NZ 3.14Å; E214-K217 WeakPolarHBondContact OE2-CE 3.25Å; E214-K217 IonicContact OE2-NZ 3.69Å; E214-K217 PolarHBondContact OE2-NZ 2.93Å |
| 215 | W | 91.3 | Very high | 84.3 | Confident | 64 Ų | 64 | 71.9 Ų | 71.9 | 24% | 0.242 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 133.7 | 162.3 | -67 | 115.5 | 0 | 0 | 0 | 108.4 | K137 L140 H189 A192 A193 K196 K217 | K137-W215 HydrophobicContact CB-CD2 4.29Å; K137-W215 HydrophobicContact CB-CE3 3.77Å; K137-W215 HydrophobicContact CB-CH2 4.49Å; K137-W215 HydrophobicContact CB-CZ3 3.9Å; K137-W215 HydrophobicContact CD-CD2 4.37Å; K137-W215 HydrophobicContact CD-CG 4.46Å; K137-W215 WeakPolarHBondContact O-CZ3 3.37Å; L140-W215 HydrophobicContact CD2-CD2 3.92Å; L140-W215 HydrophobicContact CD2-CE3 3.32Å; L140-W215 HydrophobicContact CD2-CH2 4.28Å; L140-W215 HydrophobicContact CD2-CZ3 3.52Å; L140-W215 HydrophobicContact CG-CZ3 4.48Å; H189-W215 AromaticContact CE1-CH2 3.6Å; H189-W215 AromaticContact CE1-CZ2 3.9Å; H189-W215 AromaticContact ND1-CH2 3.85Å; A192-W215 HydrophobicContact CB-CH2 4.13Å; A192-W215 HydrophobicContact CB-CZ3 3.69Å; A193-W215 HydrophobicContact CB-CH2 3.89Å; A193-W215 HydrophobicContact CB-CZ2 4.23Å; K196-W215 HydrophobicContact CD-CD2 4.18Å; K196-W215 HydrophobicContact CD-CZ2 3.96Å; K196-W215 VanDerWaalsContact NZ-CD1 3.33Å; W215-K217 PolarHBondContact O-N 2.88Å |
| 216 | L | 90.9 | Very high | 84.2 | Confident | 26 Ų | 26 | 72.9 Ų | 72.9 | 14% | 0.136 | 37% | 0.371 | C | S | . | . | trans | -62.8 | 110.6 | -178.8 | -178.5 | 57.6 | 0 | 0 | 0 | 110.3 | E139 L183 L220 K221 | E139-L216 HydrophobicContact CB-CB 3.76Å; E139-L216 HydrophobicContact CB-CD2 3.88Å; E139-L216 HydrophobicContact CB-CG 4.44Å; E139-L216 PolarHBondContact O-N 3.49Å; L183-L216 HydrophobicContact CD2-CD1 3.65Å; L183-L216 HydrophobicContact CD2-CD2 4.07Å; L183-L216 HydrophobicContact CD2-CG 4.48Å; L216-L220 HydrophobicContact CD1-CB 4.28Å; L216-L220 HydrophobicContact CD1-CD2 4.01Å; L216-L220 HydrophobicContact CD1-CG 4.1Å; L216-K221 HydrophobicContact CD1-CB 4.26Å; L216-K221 HydrophobicContact CD2-CB 4.06Å; L216-K221 HydrophobicContact CD2-CD 3.95Å; L216-K221 HydrophobicContact CD2-CG 3.99Å; L216-K221 HydrophobicContact CG-CB 4.09Å | ||
| 217 | K | 86.3 | Confident | 83.6 | Confident | 103 Ų | 103 | 76.9 Ų | 76.9 | 45% | 0.448 | 39% | 0.39 | S | S | . | . | trans | -73.9 | 142.8 | 177.7 | -67.5 | 169.5 | -177.6 | 150.1 | 0 | 109.9 | E214 W215 D219 L220 K221 | E214-K217 VanDerWaalsContact CD-NZ 3.26Å; E214-K217 IonicContact OE1-NZ 2.63Å; E214-K217 PolarHBondContact OE1-NZ 3.14Å; E214-K217 WeakPolarHBondContact OE2-CE 3.25Å; E214-K217 IonicContact OE2-NZ 3.69Å; E214-K217 PolarHBondContact OE2-NZ 2.93Å; W215-K217 PolarHBondContact O-N 2.88Å; K217-D219 VanDerWaalsContact C-N 3.3Å; K217-D219 PolarHBondContact O-N 3.5Å; K217-L220 HydrophobicContact CB-CB 4.32Å; K217-L220 PolarHBondContact O-N 3.11Å; K217-K221 PolarHBondContact O-N 2.97Å | ||
| 218 | P | 83.2 | Confident | 82.8 | Confident | 96 Ų | 96 | 79.2 Ų | 79.2 | 62% | 0.623 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -58.1 | -40.4 | -179.4 | 22.2 | -32.3 | 0 | 0 | 0 | 112.7 | L220 K221 Q222 | P218-L220 VanDerWaalsContact C-N 3.34Å; P218-L220 PolarHBondContact O-N 2.71Å; P218-K221 WeakPolarHBondContact O-CB 3.39Å; P218-K221 PolarHBondContact O-N 2.92Å; P218-Q222 PolarHBondContact O-N 2.77Å |
| 219 | D | 84.3 | Confident | 81.9 | Confident | 106 Ų | 106 | 80.5 Ų | 80.5 | 57% | 0.567 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -66 | -36.8 | 179.7 | -50.3 | -44.8 | 0 | 0 | 0 | 112.2 | K217 R223 | K217-D219 VanDerWaalsContact C-N 3.3Å; K217-D219 PolarHBondContact O-N 3.5Å; D219-R223 WeakPolarHBondContact O-CG 3.3Å; D219-R223 PolarHBondContact O-N 2.74Å; D219-R223 VanDerWaalsContact O-N 3.14Å; D219-R223 PolarHBondContact O-NE 3.22Å |
| 220 | L | 83.6 | Confident | 80.1 | Confident | 17 Ų | 17 | 77.6 Ų | 77.6 | 9% | 0.089 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68.1 | -44.4 | 174.6 | -179.1 | 60 | 0 | 0 | 0 | 110.5 | P174 I181 L216 K217 P218 Q222 R223 L224 | P174-L220 HydrophobicContact CG-CD1 3.75Å; I181-L220 HydrophobicContact CD1-CD2 4Å; L216-L220 HydrophobicContact CD1-CB 4.28Å; L216-L220 HydrophobicContact CD1-CD2 4.01Å; L216-L220 HydrophobicContact CD1-CG 4.1Å; K217-L220 HydrophobicContact CB-CB 4.32Å; K217-L220 PolarHBondContact O-N 3.11Å; P218-L220 VanDerWaalsContact C-N 3.34Å; P218-L220 PolarHBondContact O-N 2.71Å; L220-Q222 VanDerWaalsContact C-N 3.28Å; L220-Q222 PolarHBondContact O-N 3.4Å; L220-R223 PolarHBondContact O-N 2.9Å; L220-L224 HydrophobicContact CD1-CD1 3.99Å; L220-L224 HydrophobicContact CD1-CG 4.1Å; L220-L224 HydrophobicContact CG-CD1 3.84Å; L220-L224 HydrophobicContact CG-CG 4.37Å; L220-L224 WeakPolarHBondContact O-CB 3.23Å; L220-L224 VanDerWaalsContact O-CG 3.29Å; L220-L224 WeakPolarHBondContact O-CG 3.25Å; L220-L224 PolarHBondContact O-N 3.45Å |
| 221 | K | 83.6 | Confident | 78 | Confident | 52 Ų | 52 | 76.8 Ų | 76.8 | 23% | 0.226 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58.6 | -39.3 | 176.3 | -169.7 | 175 | -169.6 | 170.7 | 0 | 112.3 | E139 L216 K217 P218 R225 | E139-K221 IonicContact OE1-NZ 3.32Å; E139-K221 PolarHBondContact OE1-NZ 3.14Å; E139-K221 WeakPolarHBondContact OE2-CE 3.41Å; E139-K221 IonicContact OE2-NZ 2.79Å; E139-K221 PolarHBondContact OE2-NZ 2.91Å; L216-K221 HydrophobicContact CD1-CB 4.26Å; L216-K221 HydrophobicContact CD2-CB 4.06Å; L216-K221 HydrophobicContact CD2-CD 3.95Å; L216-K221 HydrophobicContact CD2-CG 3.99Å; L216-K221 HydrophobicContact CG-CB 4.09Å; K217-K221 PolarHBondContact O-N 2.97Å; P218-K221 WeakPolarHBondContact O-CB 3.39Å; P218-K221 PolarHBondContact O-N 2.92Å; K221-R225 VanDerWaalsContact O-CG 3.29Å; K221-R225 WeakPolarHBondContact O-CG 3.23Å; K221-R225 PolarHBondContact O-N 2.93Å; K221-R225 VanDerWaalsContact O-N 3.13Å |
| 222 | Q | 83.5 | Confident | 75.6 | Confident | 113 Ų | 113 | 81.8 Ų | 81.8 | 53% | 0.528 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.8 | -45.6 | 177.4 | -176.2 | 170.8 | -2 | 0 | 0 | 112.1 | P218 L220 R225 Q226 | P218-Q222 PolarHBondContact O-N 2.77Å; L220-Q222 VanDerWaalsContact C-N 3.28Å; L220-Q222 PolarHBondContact O-N 3.4Å; Q222-R225 WeakPolarHBondContact O-CB 3.38Å; Q222-R225 PolarHBondContact O-N 3.4Å; Q222-Q226 WeakPolarHBondContact O-CG 3.06Å; Q222-Q226 PolarHBondContact O-N 2.83Å; Q222-Q226 VanDerWaalsContact O-N 3.09Å |
| 223 | R | 82.6 | Confident | 73.3 | Confident | 128 Ų | 128 | 85.5 Ų | 85.5 | 48% | 0.483 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 176.8 | -74.8 | -179.9 | -72.5 | 169.4 | -1.3 | 112.4 | D219 L220 R225 Q226 Q227 | D219-R223 WeakPolarHBondContact O-CG 3.3Å; D219-R223 PolarHBondContact O-N 2.74Å; D219-R223 VanDerWaalsContact O-N 3.14Å; D219-R223 PolarHBondContact O-NE 3.22Å; L220-R223 PolarHBondContact O-N 2.9Å; R223-R225 VanDerWaalsContact C-N 3.3Å; R223-R225 PolarHBondContact O-N 3.14Å; R223-Q226 WeakPolarHBondContact O-CB 3.21Å; R223-Q226 PolarHBondContact O-N 2.94Å; R223-Q226 VanDerWaalsContact O-N 3.12Å; R223-Q227 PolarHBondContact O-N 3.06Å; R223-Q227 VanDerWaalsContact O-N 3.14Å |
| 224 | L | 82.3 | Confident | 70.4 | Confident | 2 Ų | 2 | 94.2 Ų | 94.2 | 1% | 0.01 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -64.6 | -33.9 | 178.3 | -67.6 | 172.6 | 0 | 0 | 0 | 112.3 | L171 P174 I181 L183 L220 Q227 L228 | L171-L224 HydrophobicContact CB-CD2 4.44Å; L171-L224 HydrophobicContact CD1-CB 3.88Å; L171-L224 HydrophobicContact CD1-CD1 4.27Å; L171-L224 HydrophobicContact CD1-CD2 3.98Å; L171-L224 HydrophobicContact CD1-CG 4.26Å; P174-L224 HydrophobicContact CG-CD2 4.22Å; I181-L224 HydrophobicContact CG2-CD1 4.43Å; I181-L224 HydrophobicContact CG2-CD2 3.93Å; L183-L224 HydrophobicContact CD1-CB 4.41Å; L183-L224 HydrophobicContact CD1-CD1 3.71Å; L183-L224 HydrophobicContact CD2-CD1 3.59Å; L183-L224 HydrophobicContact CG-CD1 3.92Å; L220-L224 HydrophobicContact CD1-CD1 3.99Å; L220-L224 HydrophobicContact CD1-CG 4.1Å; L220-L224 HydrophobicContact CG-CD1 3.84Å; L220-L224 HydrophobicContact CG-CG 4.37Å; L220-L224 WeakPolarHBondContact O-CB 3.23Å; L220-L224 VanDerWaalsContact O-CG 3.29Å; L220-L224 WeakPolarHBondContact O-CG 3.25Å; L220-L224 PolarHBondContact O-N 3.45Å; L224-Q227 PolarHBondContact O-N 2.99Å; L224-L228 PolarHBondContact O-N 3.36Å |
| 225 | R | 80.3 | Confident | 67.6 | Low | 153 Ų | 153 | 95.5 Ų | 95.5 | 58% | 0.577 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.3 | -41 | 171.8 | -79.4 | 171.3 | 174.6 | 173.4 | -6 | 112.3 | K221 Q222 R223 Q227 L228 V229 | K221-R225 VanDerWaalsContact O-CG 3.29Å; K221-R225 WeakPolarHBondContact O-CG 3.23Å; K221-R225 PolarHBondContact O-N 2.93Å; K221-R225 VanDerWaalsContact O-N 3.13Å; Q222-R225 WeakPolarHBondContact O-CB 3.38Å; Q222-R225 PolarHBondContact O-N 3.4Å; R223-R225 VanDerWaalsContact C-N 3.3Å; R223-R225 PolarHBondContact O-N 3.14Å; R225-Q227 VanDerWaalsContact C-N 3.26Å; R225-Q227 PolarHBondContact O-N 2.78Å; R225-L228 PolarHBondContact O-N 2.84Å; R225-V229 PolarHBondContact O-N 2.86Å |
| 226 | Q | 74.8 | Confident | 64.7 | Low | 123 Ų | 123 | 97.7 Ų | 97.7 | 58% | 0.575 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.6 | -29.3 | 177.5 | -69.9 | 168.9 | -21.4 | 0 | 0 | 112.2 | Q222 R223 | Q222-Q226 WeakPolarHBondContact O-CG 3.06Å; Q222-Q226 PolarHBondContact O-N 2.83Å; Q222-Q226 VanDerWaalsContact O-N 3.09Å; R223-Q226 WeakPolarHBondContact O-CB 3.21Å; R223-Q226 PolarHBondContact O-N 2.94Å; R223-Q226 VanDerWaalsContact O-N 3.12Å |
| 227 | Q | 68.1 | Low | 61.9 | Low | 94 Ų | 94 | 103.4 Ų | 103.4 | 44% | 0.439 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -74.8 | -33.4 | 175.3 | -71.1 | 177.8 | -38.3 | 0 | 0 | 113.6 | R223 L224 R225 V229 | R223-Q227 PolarHBondContact O-N 3.06Å; R223-Q227 VanDerWaalsContact O-N 3.14Å; L224-Q227 PolarHBondContact O-N 2.99Å; R225-Q227 VanDerWaalsContact C-N 3.26Å; R225-Q227 PolarHBondContact O-N 2.78Å; Q227-V229 PolarHBondContact O-N 2.76Å |
| 228 | L | 63.8 | Low | 59.6 | Low | 107 Ų | 107 | 103.2 Ų | 103.2 | 56% | 0.56 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69 | -24.7 | 175.7 | -79.8 | 164.3 | 0 | 0 | 0 | 112.6 | L171 L224 R225 G230 | L171-L228 HydrophobicContact CD1-CD1 4.27Å; L171-L228 HydrophobicContact CD2-CD1 4.02Å; L171-L228 HydrophobicContact CD2-CD2 3.56Å; L171-L228 HydrophobicContact CD2-CG 3.82Å; L224-L228 PolarHBondContact O-N 3.36Å; R225-L228 PolarHBondContact O-N 2.84Å; L228-G230 PolarHBondContact O-N 2.93Å |
| 229 | V | 57.3 | Low | 57.1 | Low | 92 Ų | 92 | 106.9 Ų | 106.9 | 56% | 0.558 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -87.8 | 85.1 | 167.2 | -171.3 | 0 | 0 | 0 | 0 | 106.3 | R225 Q227 | R225-V229 PolarHBondContact O-N 2.86Å; Q227-V229 PolarHBondContact O-N 2.76Å |
| 230 | G | 42 | Very low | 55.1 | Low | 38 Ų | 38 | 105 Ų | 105 | 39% | 0.392 | 56% | 0.563 | S | S | . | * | trans | -52.9 | 171.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L228 S232 L233 | L228-G230 PolarHBondContact O-N 2.93Å; G230-S232 PolarHBondContact O-N 3.36Å; G230-L233 PolarHBondContact O-N 2.74Å | ||
| 231 | P | 40.6 | Very low | 53.1 | Low | 127 Ų | 127 | 109.7 Ų | 109.7 | 83% | 0.825 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -63.3 | 7 | -173 | 24.8 | -32.2 | 0 | 0 | 0 | 116.2 | L233 | P231-L233 VanDerWaalsContact C-N 3.29Å; P231-L233 PolarHBondContact O-N 3.22Å |
| 232 | S | 39.2 | Very low | 50.8 | Low | 116 Ų | 116 | 115.6 Ų | 115.6 | 81% | 0.811 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -83.2 | 2.6 | 176.4 | -163.4 | 0 | 0 | 0 | 0 | 114.5 | G230 | G230-S232 PolarHBondContact O-N 3.36Š|
| 233 | L | 39.6 | Very low | 48.4 | Very low | 138 Ų | 138 | 116 Ų | 116 | 72% | 0.723 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -131 | 71.7 | 161.1 | -71 | 170.3 | 0 | 0 | 0 | 108.9 | G230 P231 P235 | G230-L233 PolarHBondContact O-N 2.74Å; P231-L233 VanDerWaalsContact C-N 3.29Å; P231-L233 PolarHBondContact O-N 3.22Å; L233-P235 WeakPolarHBondContact O-CD 3.24Å |
| 234 | R | 29.9 | Very low | 46 | Very low | 199 Ų | 199 | 113.8 Ų | 113.8 | 75% | 0.751 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 125.3 | 148.3 | -68.5 | -177.8 | -174.7 | 173.2 | 1.5 | 105.6 | ||
| 235 | P | 33.3 | Very low | 43.8 | Very low | 111 Ų | 111 | 121 Ų | 121 | 72% | 0.721 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 132.2 | 149.3 | 18 | -14.1 | 0 | 0 | 0 | 103.7 | L233 Q237 | L233-P235 WeakPolarHBondContact O-CD 3.24Å; P235-Q237 PolarHBondContact O-N 2.87Å |
| 236 | P | 28.8 | Very low | 41.4 | Very low | 110 Ų | 110 | 117.9 Ų | 117.9 | 71% | 0.714 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 121.6 | -176.8 | 20.2 | -29.7 | 0 | 0 | 0 | 106.2 | ||
| 237 | Q | 33.3 | Very low | 39.6 | Very low | 146 Ų | 146 | 123.1 Ų | 123.1 | 68% | 0.682 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 134.1 | 154.8 | -77.5 | -123.1 | -34.9 | 0 | 0 | 103.8 | P235 E239 | P235-Q237 PolarHBondContact O-N 2.87Å; Q237-E239 PolarHBondContact O-N 2.86Å |
| 238 | P | 37.5 | Very low | 38.2 | Very low | 100 Ų | 100 | 125.1 Ų | 125.1 | 65% | 0.649 | 71% | 0.712 | S | S | * | * | trans | -67.1 | 77.7 | 166.8 | 29.2 | -29.1 | 0 | 0 | 0 | 105.3 | G240 L243 | P238-G240 PolarHBondContact O-N 3.47Å; P238-L243 HydrophobicContact CB-CD1 4.04Å | ||
| 239 | E | 30.5 | Very low | 37 | Very low | 172 Ų | 172 | 129.7 Ų | 129.7 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | trans | -54.5 | 107.6 | 151 | -71.2 | -146.2 | 149.8 | 0 | 0 | 103.5 | Q237 S241 | Q237-E239 PolarHBondContact O-N 2.86Å; E239-S241 PolarHBondContact O-N 3.31Å | ||
| 240 | G | 43.3 | Very low | 36.3 | Very low | 68 Ų | 68 | 131.7 Ų | 131.7 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | 112.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | P238 | P238-G240 PolarHBondContact O-N 3.47Š|
| 241 | S | 41.8 | Very low | 36 | Very low | 114 Ų | 114 | 133 Ų | 133 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 171.2 | -3.8 | 144.4 | -81.6 | 0 | 0 | 0 | 0 | 113.9 | E239 | E239-S241 PolarHBondContact O-N 3.31Š|
| 242 | Q | 35.3 | Very low | 36.2 | Very low | 176 Ų | 176 | 133.1 Ų | 133.1 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -123.6 | -10.7 | 178.7 | -66.8 | -171.1 | 1.6 | 0 | 0 | 116.3 | A244 | Q242-A244 VanDerWaalsContact C-N 3.28Å; Q242-A244 PolarHBondContact O-N 3.46Å |
| 243 | L | 32.1 | Very low | 36.9 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 64% | 0.644 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -1.4 | 171 | -94.9 | 149.4 | 0 | 0 | 0 | 114.1 | P238 L245 | P238-L243 HydrophobicContact CB-CD1 4.04Å; L243-L245 VanDerWaalsContact C-N 3.3Å |
| 244 | A | 32.7 | Very low | 38.8 | Very low | 80 Ų | 80 | 128.6 Ų | 128.6 | 66% | 0.661 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -17.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q242 | Q242-A244 VanDerWaalsContact C-N 3.28Å; Q242-A244 PolarHBondContact O-N 3.46Å |
| 245 | L | 34.8 | Very low | 41.3 | Very low | 154 Ų | 154 | 120 Ų | 120 | 81% | 0.806 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -100.3 | -10.9 | -174.3 | -120.2 | 80.3 | 0 | 0 | 0 | 115.3 | L243 | L243-L245 VanDerWaalsContact C-N 3.3Š|
| 246 | A | 31.8 | Very low | 43.8 | Very low | 88 Ų | 88 | 118 Ų | 118 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -100.9 | 5.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 247 | R | 36.9 | Very low | 46.5 | Very low | 233 Ų | 233 | 114.5 Ų | 114.5 | 88% | 0.879 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -83.2 | -4.5 | 168.7 | -134.1 | 173.8 | -172.9 | 175.2 | 0.3 | 112.4 | ||
| 248 | D | 37.6 | Very low | 49.2 | Very low | 135 Ų | 135 | 110 Ų | 110 | 72% | 0.722 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -108.8 | 9.9 | -161 | -145.8 | 37.5 | 0 | 0 | 0 | 114.9 | ||
| 249 | K | 39.8 | Very low | 51.6 | Low | 203 Ų | 203 | 105.2 Ų | 105.2 | 88% | 0.883 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -139.7 | 44 | 175.2 | -69.9 | -165.2 | 179.5 | -171.1 | 0 | 115.1 | ||
| 250 | L | 40.9 | Very low | 54.4 | Low | 134 Ų | 134 | 101.2 Ų | 101.2 | 70% | 0.702 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -120.8 | 85 | 150.1 | -160 | 70.8 | 0 | 0 | 0 | 107.7 | S252 | L250-S252 PolarHBondContact O-N 3.35Š|
| 251 | G | 37.1 | Very low | 56.5 | Low | 65 Ų | 65 | 103 Ų | 103 | 67% | 0.67 | 58% | 0.581 | S | S | * | * | trans | -56.6 | 126 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q253 | G251-Q253 PolarHBondContact O-N 3.47Š| ||
| 252 | S | 44.7 | Very low | 58.7 | Low | 131 Ų | 131 | 99.8 Ų | 99.8 | 92% | 0.916 | 56% | 0.555 | S | S | * | * | S | Bend | trans | 49.3 | 1.3 | 154.3 | -166.6 | 0 | 0 | 0 | 0 | 120.4 | L250 | L250-S252 PolarHBondContact O-N 3.35Š|
| 253 | Q | 53.7 | Low | 61.1 | Low | 115 Ų | 115 | 91.4 Ų | 91.4 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | trans | -131.8 | 109.3 | -177.3 | -71.4 | -161.3 | -25.6 | 0 | 0 | 110.4 | G251 A257 | G251-Q253 PolarHBondContact O-N 3.47Å; Q253-A257 HydrophobicContact CB-CB 4Å; Q253-A257 HydrophobicContact CG-CB 4.47Å | ||
| 254 | G | 78.3 | Confident | 63.7 | Low | 44 Ų | 44 | 90.3 Ų | 90.3 | 45% | 0.454 | 51% | 0.507 | S | S | . | . | trans | -59.5 | 164.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R256 A257 T258 | G254-R256 PolarHBondContact O-N 3.03Å; G254-A257 WeakPolarHBondContact O-CB 3.43Å; G254-A257 PolarHBondContact O-N 3.27Å; G254-T258 PolarHBondContact O-N 2.81Å | ||
| 255 | A | 83.6 | Confident | 66.1 | Low | 19 Ų | 19 | 97 Ų | 97 | 16% | 0.157 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -54.1 | -33.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T258 L259 V326 | A255-T258 PolarHBondContact O-N 3.22Å; A255-L259 PolarHBondContact O-N 3.2Å; A255-V326 HydrophobicContact CB-CG2 3.52Å |
| 256 | R | 85.9 | Confident | 68.5 | Low | 69 Ų | 69 | 93 Ų | 93 | 26% | 0.26 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 173.1 | -78.3 | 166.8 | 69.9 | 167.2 | -8.1 | 114.1 | G254 T258 L259 Q260 F273 E318 D322 S325 | G254-R256 PolarHBondContact O-N 3.03Å; R256-T258 VanDerWaalsContact C-N 3.29Å; R256-T258 PolarHBondContact O-N 3.31Å; R256-L259 PolarHBondContact O-N 3.21Å; R256-Q260 WeakPolarHBondContact O-CB 3.32Å; R256-Q260 PolarHBondContact O-N 3.24Å; R256-F273 HydrophobicContact CG-CZ 4.4Å; R256-E318 IonicContact CZ-OE2 3.62Å; R256-E318 VanDerWaalsContact NH1-CD 3.3Å; R256-E318 IonicContact NH1-OE1 3.29Å; R256-E318 IonicContact NH1-OE2 3.34Å; R256-E318 PolarHBondContact NH1-OE2 2.75Å; R256-E318 IonicContact NH2-OE2 3.85Å; R256-E318 PolarHBondContact NH2-OE2 3.36Å; R256-D322 WeakPolarHBondContact CD-OD1 3.36Å; R256-D322 WeakPolarHBondContact CG-OD1 3.25Å; R256-D322 PolarHBondContact N-OD1 3.02Å; R256-S325 WeakPolarHBondContact CG-OG 3.49Å |
| 257 | A | 85.8 | Confident | 71 | Confident | 35 Ų | 35 | 98 Ų | 98 | 29% | 0.289 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q253 G254 Q260 L261 | Q253-A257 HydrophobicContact CB-CB 4Å; Q253-A257 HydrophobicContact CG-CB 4.47Å; G254-A257 WeakPolarHBondContact O-CB 3.43Å; G254-A257 PolarHBondContact O-N 3.27Å; A257-Q260 PolarHBondContact O-N 2.77Å; A257-L261 PolarHBondContact O-N 3.41Å |
| 258 | T | 88.7 | Confident | 73.2 | Confident | 51 Ų | 51 | 88.6 Ų | 88.6 | 31% | 0.313 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | 175.3 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | G254 A255 R256 Q260 L261 L262 L329 | G254-T258 PolarHBondContact O-N 2.81Å; A255-T258 PolarHBondContact O-N 3.22Å; R256-T258 VanDerWaalsContact C-N 3.29Å; R256-T258 PolarHBondContact O-N 3.31Å; T258-Q260 VanDerWaalsContact C-N 3.34Å; T258-Q260 PolarHBondContact O-N 2.81Å; T258-L261 PolarHBondContact O-N 3.46Å; T258-L262 PolarHBondContact O-N 2.87Å; T258-L329 HydrophobicContact CG2-CD1 3.87Å; T258-L329 HydrophobicContact CG2-CD2 3.99Å |
| 259 | L | 88.4 | Confident | 75.3 | Confident | 0 Ų | 0 | 83.6 Ų | 83.6 | 0% | 0 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62.2 | -43 | 175.3 | -176.6 | 71.4 | 0 | 0 | 0 | 111.7 | A255 R256 L261 L262 C263 P271 F273 L328 L329 L332 | A255-L259 PolarHBondContact O-N 3.2Å; R256-L259 PolarHBondContact O-N 3.21Å; L259-L261 VanDerWaalsContact C-N 3.35Å; L259-L261 PolarHBondContact O-N 2.91Å; L259-L262 PolarHBondContact O-N 2.95Å; L259-C263 PolarHBondContact O-N 3.02Å; L259-C263 PolarHBondContact O-SG 3.25Å; L259-P271 HydrophobicContact CD2-CB 4.11Å; L259-P271 HydrophobicContact CD2-CG 4.07Å; L259-P271 HydrophobicContact CG-CG 4.28Å; L259-F273 HydrophobicContact CD2-CE2 4.44Å; L259-F273 HydrophobicContact CD2-CZ 3.68Å; L259-L328 HydrophobicContact CD1-CB 3.78Å; L259-L328 HydrophobicContact CD2-CB 4.11Å; L259-L328 HydrophobicContact CD2-CD1 3.85Å; L259-L329 HydrophobicContact CB-CD1 4.49Å; L259-L329 HydrophobicContact CB-CD2 4.16Å; L259-L329 HydrophobicContact CB-CG 4.12Å; L259-L329 HydrophobicContact CD1-CD2 3.99Å; L259-L329 HydrophobicContact CD1-CG 4.01Å; L259-L332 HydrophobicContact CD1-CD1 3.77Å |
| 260 | Q | 89.4 | Confident | 77.5 | Confident | 89 Ų | 89 | 76.9 Ų | 76.9 | 42% | 0.416 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.7 | -45 | 177.9 | -178.4 | 167.1 | -26.4 | 0 | 0 | 111.4 | R256 A257 T258 L262 C263 Q264 | R256-Q260 WeakPolarHBondContact O-CB 3.32Å; R256-Q260 PolarHBondContact O-N 3.24Å; A257-Q260 PolarHBondContact O-N 2.77Å; T258-Q260 VanDerWaalsContact C-N 3.34Å; T258-Q260 PolarHBondContact O-N 2.81Å; Q260-L262 PolarHBondContact O-N 3.31Å; Q260-C263 PolarHBondContact O-N 3.39Å; Q260-Q264 VanDerWaalsContact O-CG 3.3Å; Q260-Q264 WeakPolarHBondContact O-CG 3.37Å; Q260-Q264 PolarHBondContact O-N 2.83Å |
| 261 | L | 87.5 | Confident | 79.9 | Confident | 104 Ų | 104 | 71.2 Ų | 71.2 | 55% | 0.545 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 176.9 | -169 | 70.9 | 0 | 0 | 0 | 112 | A257 T258 L259 Q264 R265 | A257-L261 PolarHBondContact O-N 3.41Å; T258-L261 PolarHBondContact O-N 3.46Å; L259-L261 VanDerWaalsContact C-N 3.35Å; L259-L261 PolarHBondContact O-N 2.91Å; L261-Q264 PolarHBondContact O-N 2.91Å; L261-R265 WeakPolarHBondContact O-CB 3.42Å; L261-R265 PolarHBondContact O-N 3.38Å |
| 262 | L | 87.2 | Confident | 82.4 | Confident | 48 Ų | 48 | 72 Ų | 72 | 25% | 0.251 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62 | -46.2 | 176.4 | -178.4 | 65.3 | 0 | 0 | 0 | 111.5 | T258 L259 Q260 Q264 R265 M266 L329 L332 | T258-L262 PolarHBondContact O-N 2.87Å; L259-L262 PolarHBondContact O-N 2.95Å; Q260-L262 PolarHBondContact O-N 3.31Å; L262-Q264 VanDerWaalsContact C-N 3.31Å; L262-Q264 PolarHBondContact O-N 2.77Å; L262-R265 PolarHBondContact O-N 3.43Å; L262-M266 HydrophobicContact CD1-CG 4.42Å; L262-M266 HydrophobicContact CG-CE 4.25Å; L262-M266 WeakPolarHBondContact O-CG 3.47Å; L262-M266 PolarHBondContact O-N 2.85Å; L262-L329 HydrophobicContact CB-CD2 4.24Å; L262-L329 HydrophobicContact CD2-CD2 3.73Å; L262-L332 HydrophobicContact CD2-CB 3.92Å; L262-L332 HydrophobicContact CD2-CD1 4.28Å |
| 263 | C | 85.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 179.3 | -62 | 0 | 0 | 0 | 0 | 111.8 | L259 Q260 M266 K267 L268 G269 I294 | L259-C263 PolarHBondContact O-N 3.02Å; L259-C263 PolarHBondContact O-SG 3.25Å; Q260-C263 PolarHBondContact O-N 3.39Å; C263-M266 PolarHBondContact O-N 3.45Å; C263-K267 PolarHBondContact O-N 2.7Å; C263-K267 VanDerWaalsContact O-N 3.17Å; C263-L268 PolarHBondContact O-N 2.79Å; C263-G269 VanDerWaalsContact CB-O 3.23Å; C263-G269 WeakPolarHBondContact CB-O 3.48Å; C263-I294 HydrophobicContact CB-CG2 4.43Å |
| 264 | Q | 86.6 | Confident | 86.4 | Confident | 99 Ų | 99 | 66 Ų | 66 | 46% | 0.463 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 172.9 | -73 | 174.9 | 7.7 | 0 | 0 | 111.7 | Q260 L261 L262 M266 K267 | Q260-Q264 VanDerWaalsContact O-CG 3.3Å; Q260-Q264 WeakPolarHBondContact O-CG 3.37Å; Q260-Q264 PolarHBondContact O-N 2.83Å; L261-Q264 PolarHBondContact O-N 2.91Å; L262-Q264 VanDerWaalsContact C-N 3.31Å; L262-Q264 PolarHBondContact O-N 2.77Å; Q264-M266 VanDerWaalsContact C-N 3.26Å; Q264-M266 PolarHBondContact O-N 3.44Å; Q264-K267 PolarHBondContact O-N 2.96Å |
| 265 | R | 84.4 | Confident | 86.9 | Confident | 221 Ų | 221 | 65.2 Ų | 65.2 | 83% | 0.834 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60 | -37.1 | 177.1 | -174 | 176.3 | 179.3 | 173.4 | 0.3 | 112.2 | L261 L262 K267 | L261-R265 WeakPolarHBondContact O-CB 3.42Å; L261-R265 PolarHBondContact O-N 3.38Å; L262-R265 PolarHBondContact O-N 3.43Å; R265-K267 VanDerWaalsContact C-N 3.28Å; R265-K267 PolarHBondContact O-N 3.45Å |
| 266 | M | 83.8 | Confident | 87.1 | Confident | 71 Ų | 71 | 70.8 Ų | 70.8 | 35% | 0.35 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 4.4 | 177.1 | -63 | -151.5 | -65.8 | 0 | 0 | 113.9 | L262 C263 Q264 L268 L332 | L262-M266 HydrophobicContact CD1-CG 4.42Å; L262-M266 HydrophobicContact CG-CE 4.25Å; L262-M266 WeakPolarHBondContact O-CG 3.47Å; L262-M266 PolarHBondContact O-N 2.85Å; C263-M266 PolarHBondContact O-N 3.45Å; Q264-M266 VanDerWaalsContact C-N 3.26Å; Q264-M266 PolarHBondContact O-N 3.44Å; M266-L268 HydrophobicContact CB-CD1 4.01Å; M266-L268 HydrophobicContact CB-CG 3.8Å; M266-L268 HydrophobicContact CE-CD1 3.62Å; M266-L268 PolarHBondContact O-N 2.63Å; M266-L332 HydrophobicContact CE-CB 4.23Å; M266-L332 HydrophobicContact CE-CD1 4.45Å; M266-L332 HydrophobicContact CE-CD2 4.26Å |
| 267 | K | 86.3 | Confident | 87 | Confident | 193 Ų | 193 | 69.9 Ų | 69.9 | 84% | 0.839 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 31.8 | -177.3 | -57.5 | -177.2 | 178.9 | -179.1 | 0 | 113.9 | C263 Q264 R265 | C263-K267 PolarHBondContact O-N 2.7Å; C263-K267 VanDerWaalsContact O-N 3.17Å; Q264-K267 PolarHBondContact O-N 2.96Å; R265-K267 VanDerWaalsContact C-N 3.28Å; R265-K267 PolarHBondContact O-N 3.45Å |
| 268 | L | 81.9 | Confident | 86.9 | Confident | 34 Ų | 34 | 71.6 Ų | 71.6 | 18% | 0.178 | 36% | 0.362 | C | S | . | . | trans | -91.4 | -5.4 | -179.7 | -56.6 | 179.4 | 0 | 0 | 0 | 113.5 | C263 M266 I294 P295 G296 | C263-L268 PolarHBondContact O-N 2.79Å; M266-L268 HydrophobicContact CB-CD1 4.01Å; M266-L268 HydrophobicContact CB-CG 3.8Å; M266-L268 HydrophobicContact CE-CD1 3.62Å; M266-L268 PolarHBondContact O-N 2.63Å; L268-I294 HydrophobicContact CB-CG2 3.56Å; L268-I294 HydrophobicContact CD1-CG2 4.43Å; L268-I294 WeakPolarHBondContact O-CG2 3.3Å; L268-P295 WeakPolarHBondContact O-CD 3.43Å; L268-G296 WeakPolarHBondContact CD2-O 3.42Å; L268-G296 WeakPolarHBondContact O-CA 2.91Å; L268-G296 PolarHBondContact O-N 2.85Å | ||
| 269 | G | 82.3 | Confident | 86.4 | Confident | 31 Ų | 31 | 70.7 Ų | 70.7 | 32% | 0.32 | 36% | 0.362 | S | S | . | . | trans | 80 | 173.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | C263 | C263-G269 VanDerWaalsContact CB-O 3.23Å; C263-G269 WeakPolarHBondContact CB-O 3.48Å | ||
| 270 | S | 85.6 | Confident | 85.9 | Confident | 61 Ų | 61 | 76.7 Ų | 76.7 | 43% | 0.427 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 133.2 | -172.7 | -62 | 0 | 0 | 0 | 0 | 112.5 | V272 P295 | S270-V272 PolarHBondContact O-N 2.93Å; S270-P295 WeakPolarHBondContact O-CD 3.5Å |
| 271 | P | 90.5 | Very high | 85.1 | Confident | 15 Ų | 15 | 73.2 Ų | 73.2 | 10% | 0.097 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -69 | 127 | 177.3 | 27.1 | -33.2 | 0 | 0 | 0 | 111.5 | L259 F273 V292 I294 | L259-P271 HydrophobicContact CD2-CB 4.11Å; L259-P271 HydrophobicContact CD2-CG 4.07Å; L259-P271 HydrophobicContact CG-CG 4.28Å; P271-F273 HydrophobicContact CB-CE2 3.9Å; P271-F273 HydrophobicContact CB-CZ 4.42Å; P271-F273 HydrophobicContact CG-CE2 4.05Å; P271-V292 HydrophobicContact CB-CG1 3.92Å; P271-I294 HydrophobicContact CB-CG1 4.08Å |
| 272 | V | 90.7 | Very high | 84.1 | Confident | 83 Ų | 83 | 73.8 Ų | 73.8 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 123.3 | 175.9 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | S270 V292 V293 | S270-V272 PolarHBondContact O-N 2.93Å; V272-V292 VanDerWaalsContact O-CA 3.3Å; V272-V292 WeakPolarHBondContact O-CA 3.48Å; V272-V293 PolarHBondContact N-O 2.87Å; V272-V293 PolarHBondContact O-N 2.86Å |
| 273 | F | 92.7 | Very high | 83.4 | Confident | 34 Ų | 34 | 75.9 Ų | 75.9 | 15% | 0.149 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 126 | -176.8 | -66.4 | -103.5 | 0 | 0 | 0 | 111.8 | R256 L259 P271 V292 K321 V324 S325 | R256-F273 HydrophobicContact CG-CZ 4.4Å; L259-F273 HydrophobicContact CD2-CE2 4.44Å; L259-F273 HydrophobicContact CD2-CZ 3.68Å; P271-F273 HydrophobicContact CB-CE2 3.9Å; P271-F273 HydrophobicContact CB-CZ 4.42Å; P271-F273 HydrophobicContact CG-CE2 4.05Å; F273-V292 HydrophobicContact CD1-CG1 4.39Å; F273-V292 HydrophobicContact CD1-CG2 3.43Å; F273-V292 VanDerWaalsContact CD1-CG2 3.43Å; F273-V292 HydrophobicContact CE1-CG1 4.29Å; F273-V292 HydrophobicContact CE1-CG2 3.65Å; F273-V292 HydrophobicContact CG-CG2 4.14Å; F273-V292 HydrophobicContact CZ-CG1 4.35Å; F273-V292 HydrophobicContact CZ-CG2 4.5Å; F273-K321 HydrophobicContact CB-CD 4.03Å; F273-K321 HydrophobicContact CB-CG 3.8Å; F273-K321 HydrophobicContact CD1-CB 4.03Å; F273-K321 HydrophobicContact CD1-CG 3.91Å; F273-K321 HydrophobicContact CE1-CB 4.41Å; F273-K321 HydrophobicContact CG-CB 4.39Å; F273-K321 HydrophobicContact CG-CD 4.44Å; F273-K321 HydrophobicContact CG-CG 3.99Å; F273-V324 HydrophobicContact CD1-CG1 4.39Å; F273-V324 HydrophobicContact CE1-CB 4.41Å; F273-V324 HydrophobicContact CE1-CG1 4.06Å; F273-S325 WeakPolarHBondContact CE1-OG 3.4Å; F273-S325 WeakPolarHBondContact CZ-OG 3.25Å |
| 274 | L | 88.6 | Confident | 82.8 | Confident | 86 Ų | 86 | 77.5 Ų | 77.5 | 45% | 0.45 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 129.2 | 166.3 | -61.1 | 168 | 0 | 0 | 0 | 107.6 | W289 Y290 Q291 | L274-W289 HydrophobicContact CB-CZ3 4.36Å; L274-Y290 CarbonylContact O-C 3.43Å; L274-Y290 WeakPolarHBondContact O-CA 3.4Å; L274-Q291 HydrophobicContact CB-CB 4.27Å; L274-Q291 HydrophobicContact CD1-CB 4.45Å; L274-Q291 PolarHBondContact N-O 3.11Å; L274-Q291 PolarHBondContact O-N 3.28Å |
| 275 | T | 89.7 | Confident | 82.5 | Confident | 26 Ų | 26 | 78.2 Ų | 78.2 | 16% | 0.16 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 135.4 | -179.6 | 49.2 | 0 | 0 | 0 | 0 | 109.5 | W289 H317 A320 K321 | T275-W289 CarbonylContact C-O 3.52Å; T275-W289 WeakPolarHBondContact CA-O 3.32Å; T275-H317 WeakPolarHBondContact CB-ND1 3.28Å; T275-H317 PolarHBondContact O-CE1 3.18Å; T275-H317 VanDerWaalsContact O-CE1 3.28Å; T275-H317 PolarHBondContact O-ND1 2.93Å; T275-H317 PolarHBondContact OG1-ND1 2.85Å; T275-A320 HydrophobicContact CG2-CB 4.47Å; T275-K321 HydrophobicContact CG2-CG 3.86Å |
| 276 | K | 86.6 | Confident | 82.4 | Confident | 136 Ų | 136 | 69.5 Ų | 69.5 | 59% | 0.591 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 121.1 | 176.7 | -176.4 | 174.8 | -179.5 | 175 | 0 | 109.5 | L278 F288 W289 | K276-L278 HydrophobicContact CG-CD2 4.44Å; K276-L278 PolarHBondContact O-N 3.14Å; K276-F288 WeakPolarHBondContact O-CA 3.26Å; K276-W289 HydrophobicContact CB-CE3 4.17Å; K276-W289 PolarHBondContact N-O 3.38Å; K276-W289 PolarHBondContact O-N 2.84Å |
| 277 | C | 85.2 | Confident | 82.6 | Confident | 50 Ų | 50 | 70.6 Ų | 70.6 | 34% | 0.338 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 129.3 | 172 | -170.8 | 0 | 0 | 0 | 0 | 109.5 | F288 | C277-F288 HydrophobicContact CB-CD1 4Å; C277-F288 HydrophobicContact CB-CE1 3.58Å; C277-F288 HydrophobicContact CB-CZ 4.03Å |
| 278 | L | 82.6 | Confident | 82.7 | Confident | 71 Ų | 71 | 61.5 Ų | 61.5 | 37% | 0.372 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | -4.5 | -179.8 | -61.2 | -173.5 | 0 | 0 | 0 | 113 | K276 R287 W289 L304 | K276-L278 HydrophobicContact CG-CD2 4.44Å; K276-L278 PolarHBondContact O-N 3.14Å; L278-R287 HydrophobicContact CB-CB 4.39Å; L278-R287 HydrophobicContact CB-CG 4.5Å; L278-R287 PolarHBondContact N-O 2.85Å; L278-W289 HydrophobicContact CD1-CB 3.97Å; L278-W289 HydrophobicContact CD2-CB 4.13Å; L278-W289 HydrophobicContact CG-CB 4.06Å; L278-L304 HydrophobicContact CD1-CD2 3.47Å; L278-L304 VanDerWaalsContact CD1-CD2 3.47Å |
| 279 | G | 78.5 | Confident | 83.1 | Confident | 32 Ų | 32 | 64.1 Ų | 64.1 | 33% | 0.33 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 133.1 | 175.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | R287 | G279-R287 PolarHBondContact O-N 3.07Å |
| 280 | I | 78.9 | Confident | 83.5 | Confident | 126 Ų | 126 | 63.8 Ų | 63.8 | 65% | 0.646 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 130.8 | -177.3 | -49.4 | -179.4 | 0 | 0 | 0 | 108.5 | W285 | I280-W285 CarbonylContact C-O 3.6Å |
| 281 | G | 72.3 | Confident | 83.7 | Confident | 16 Ų | 16 | 63.3 Ų | 63.3 | 17% | 0.165 | 35% | 0.348 | C | S | . | . | trans | -98.2 | 176.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | W285 | G281-W285 PolarHBondContact N-O 3.49Š| ||
| 282 | P | 66.7 | Low | 83.7 | Confident | 117 Ų | 117 | 62.6 Ų | 62.6 | 76% | 0.76 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -59.3 | 148.3 | 178.4 | 23.5 | -31.5 | 0 | 0 | 0 | 111.6 | W285 | P282-W285 VanDerWaalsContact O-CD1 3.27Š|
| 283 | A | 71.9 | Confident | 83.6 | Confident | 91 Ų | 91 | 61.3 Ų | 61.3 | 75% | 0.752 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | 63.1 | 37 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | W285 | A283-W285 VanDerWaalsContact C-N 3.28Å; A283-W285 PolarHBondContact O-N 3.12Å |
| 284 | G | 73.6 | Confident | 83.5 | Confident | 35 Ų | 35 | 59.9 Ų | 59.9 | 36% | 0.361 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | 74.4 | 16.8 | 172 | 0 | 0 | 0 | 0 | 0 | 114.5 | H286 | G284-H286 PolarHBondContact O-CD2 3.2Š|
| 285 | W | 80.4 | Confident | 83.3 | Confident | 114 Ų | 114 | 60.3 Ų | 60.3 | 43% | 0.432 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 129.2 | 174.8 | -75 | 88.8 | 0 | 0 | 0 | 110.7 | I280 G281 P282 A283 W306 V308 | I280-W285 CarbonylContact C-O 3.6Å; G281-W285 PolarHBondContact N-O 3.49Å; P282-W285 VanDerWaalsContact O-CD1 3.27Å; A283-W285 VanDerWaalsContact C-N 3.28Å; A283-W285 PolarHBondContact O-N 3.12Å; W285-W306 HydrophobicContact CB-CE3 3.84Å; W285-W306 HydrophobicContact CB-CZ3 4.12Å; W285-W306 HydrophobicContact CE3-CB 3.67Å; W285-W306 HydrophobicContact CZ3-CB 3.96Å; W285-V308 HydrophobicContact CD2-CG2 3.39Å; W285-V308 HydrophobicContact CE3-CG2 3.52Å; W285-V308 HydrophobicContact CG-CG2 4.07Å; W285-V308 HydrophobicContact CH2-CG2 3.64Å; W285-V308 HydrophobicContact CZ2-CG2 3.46Å; W285-V308 VanDerWaalsContact CZ2-CG2 3.46Å; W285-V308 HydrophobicContact CZ3-CG2 3.67Å |
| 286 | H | 81.6 | Confident | 82.6 | Confident | 37 Ų | 37 | 61.1 Ų | 61.1 | 17% | 0.171 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 131.7 | 175.2 | -70.1 | -113.6 | 0 | 0 | 0 | 109.8 | G284 F288 W306 V307 L309 | G284-H286 PolarHBondContact O-CD2 3.2Å; H286-F288 HydrophobicContact CB-CD2 4.2Å; H286-F288 HydrophobicContact CB-CE2 3.52Å; H286-F288 HydrophobicContact CB-CZ 4.38Å; H286-W306 WeakPolarHBondContact O-CA 3.33Å; H286-V307 HydrophobicContact CB-CG2 4.29Å; H286-V307 PolarHBondContact N-O 2.95Å; H286-V307 PolarHBondContact O-N 3.49Å; H286-L309 HydrophobicContact CB-CD1 4.43Å; H286-L309 HydrophobicContact CB-CG 4.49Å |
| 287 | R | 89.2 | Confident | 82.3 | Confident | 94 Ų | 94 | 57.3 Ų | 57.3 | 36% | 0.355 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 125.9 | 177.7 | -164.4 | 171.6 | 69.1 | 177.9 | -0.2 | 109.9 | L278 G279 W306 | L278-R287 HydrophobicContact CB-CB 4.39Å; L278-R287 HydrophobicContact CB-CG 4.5Å; L278-R287 PolarHBondContact N-O 2.85Å; G279-R287 PolarHBondContact O-N 3.07Å; R287-W306 HydrophobicContact CB-CD2 4Å; R287-W306 HydrophobicContact CB-CE3 3.69Å; R287-W306 HydrophobicContact CB-CH2 3.76Å; R287-W306 HydrophobicContact CB-CZ2 4.04Å; R287-W306 HydrophobicContact CB-CZ3 3.57Å; R287-W306 VanDerWaalsContact CD-CZ2 3.46Å; R287-W306 HydrophobicContact CG-CD2 4.03Å; R287-W306 HydrophobicContact CG-CE3 4.25Å; R287-W306 HydrophobicContact CG-CH2 4.19Å; R287-W306 HydrophobicContact CG-CZ2 3.94Å; R287-W306 HydrophobicContact CG-CZ3 4.33Å |
| 288 | F | 87.8 | Confident | 81.6 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 1% | 0.013 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 137.6 | 174.4 | -71 | -98.7 | 0 | 0 | 0 | 110.8 | K276 C277 H286 L304 I305 V307 G316 H317 A320 | K276-F288 WeakPolarHBondContact O-CA 3.26Å; C277-F288 HydrophobicContact CB-CD1 4Å; C277-F288 HydrophobicContact CB-CE1 3.58Å; C277-F288 HydrophobicContact CB-CZ 4.03Å; H286-F288 HydrophobicContact CB-CD2 4.2Å; H286-F288 HydrophobicContact CB-CE2 3.52Å; H286-F288 HydrophobicContact CB-CZ 4.38Å; F288-L304 WeakPolarHBondContact O-CA 3.24Å; F288-I305 HydrophobicContact CB-CG2 3.94Å; F288-I305 PolarHBondContact N-O 3.3Å; F288-I305 PolarHBondContact O-N 3.42Å; F288-V307 HydrophobicContact CD2-CG2 3.7Å; F288-V307 HydrophobicContact CE2-CG2 3.51Å; F288-G316 VanDerWaalsContact CZ-C 3.46Å; F288-G316 WeakPolarHBondContact CZ-O 3.48Å; F288-H317 AromaticContact CE1-CD2 3.84Å; F288-H317 AromaticContact CE1-CE1 3.72Å; F288-H317 AromaticContact CE1-CG 3.85Å; F288-H317 AromaticContact CE1-ND1 3.75Å; F288-H317 AromaticContact CE1-NE2 3.74Å; F288-A320 HydrophobicContact CB-CB 4.13Å; F288-A320 HydrophobicContact CD1-CB 4.11Å; F288-A320 HydrophobicContact CD2-CB 4Å; F288-A320 HydrophobicContact CE2-CB 4.44Å; F288-A320 HydrophobicContact CG-CB 3.82Å |
| 289 | W | 90.9 | Very high | 81.3 | Confident | 89 Ų | 89 | 61.9 Ų | 61.9 | 34% | 0.337 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 139.7 | 154.9 | 176.8 | 85.2 | 0 | 0 | 0 | 108.7 | L274 T275 K276 L278 Q291 G303 L304 | L274-W289 HydrophobicContact CB-CZ3 4.36Å; T275-W289 CarbonylContact C-O 3.52Å; T275-W289 WeakPolarHBondContact CA-O 3.32Å; K276-W289 HydrophobicContact CB-CE3 4.17Å; K276-W289 PolarHBondContact N-O 3.38Å; K276-W289 PolarHBondContact O-N 2.84Å; L278-W289 HydrophobicContact CD1-CB 3.97Å; L278-W289 HydrophobicContact CD2-CB 4.13Å; L278-W289 HydrophobicContact CG-CB 4.06Å; W289-Q291 HydrophobicContact CH2-CB 3.49Å; W289-Q291 VanDerWaalsContact CH2-CB 3.49Å; W289-Q291 HydrophobicContact CH2-CG 4.49Å; W289-Q291 VanDerWaalsContact CH2-OE1 3.31Å; W289-Q291 HydrophobicContact CZ2-CB 3.78Å; W289-Q291 HydrophobicContact CZ3-CB 4.13Å; W289-G303 WeakPolarHBondContact CA-O 3.5Å; W289-L304 HydrophobicContact CB-CD2 3.97Å |
| 290 | Y | 90.1 | Very high | 81.6 | Confident | 23 Ų | 23 | 62.9 Ų | 62.9 | 9% | 0.09 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 153.1 | 175.2 | 73 | -91.2 | 0 | 0 | 0 | 111.7 | L274 V292 S302 G303 I305 V324 | L274-Y290 CarbonylContact O-C 3.43Å; L274-Y290 WeakPolarHBondContact O-CA 3.4Å; Y290-V292 HydrophobicContact CD2-CG2 4.19Å; Y290-S302 VanDerWaalsContact O-CA 3.24Å; Y290-S302 WeakPolarHBondContact O-CA 3.2Å; Y290-S302 WeakPolarHBondContact O-CB 3.35Å; Y290-G303 WeakPolarHBondContact CD1-O 3.38Å; Y290-G303 VanDerWaalsContact CE1-C 3.45Å; Y290-G303 PolarHBondContact N-O 3.45Å; Y290-G303 PolarHBondContact O-N 3.05Å; Y290-I305 HydrophobicContact CD1-CB 4.16Å; Y290-I305 HydrophobicContact CD1-CG2 4.03Å; Y290-I305 HydrophobicContact CE1-CB 4.2Å; Y290-V324 HydrophobicContact CD1-CG2 3.53Å; Y290-V324 HydrophobicContact CD2-CB 4.37Å; Y290-V324 HydrophobicContact CD2-CG1 3.55Å; Y290-V324 HydrophobicContact CD2-CG2 3.78Å; Y290-V324 HydrophobicContact CE1-CG2 3.91Å; Y290-V324 HydrophobicContact CE2-CG1 3.65Å; Y290-V324 HydrophobicContact CE2-CG2 4.13Å; Y290-V324 HydrophobicContact CG-CB 4.48Å; Y290-V324 HydrophobicContact CG-CG1 4.13Å; Y290-V324 HydrophobicContact CG-CG2 3.45Å; Y290-V324 VanDerWaalsContact CG-CG2 3.45Å |
| 291 | Q | 88.6 | Confident | 81.9 | Confident | 51 Ų | 51 | 59 Ų | 59 | 24% | 0.238 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 128.9 | 164.7 | -179.4 | 174.2 | -8.7 | 0 | 0 | 109.3 | L274 W289 V293 P300 F301 | L274-Q291 HydrophobicContact CB-CB 4.27Å; L274-Q291 HydrophobicContact CD1-CB 4.45Å; L274-Q291 PolarHBondContact N-O 3.11Å; L274-Q291 PolarHBondContact O-N 3.28Å; W289-Q291 HydrophobicContact CH2-CB 3.49Å; W289-Q291 VanDerWaalsContact CH2-CB 3.49Å; W289-Q291 HydrophobicContact CH2-CG 4.49Å; W289-Q291 VanDerWaalsContact CH2-OE1 3.31Å; W289-Q291 HydrophobicContact CZ2-CB 3.78Å; W289-Q291 HydrophobicContact CZ3-CB 4.13Å; Q291-V293 HydrophobicContact CG-CG2 4.43Å; Q291-P300 HydrophobicContact CG-CB 4.05Å; Q291-F301 CarbonylContact C-O 3.56Å; Q291-F301 WeakPolarHBondContact CA-O 3.31Å |
| 292 | V | 91.5 | Very high | 82.7 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 121.2 | 175.3 | -173.2 | 0 | 0 | 0 | 0 | 109.2 | P271 V272 F273 Y290 I294 P300 F301 V324 L328 | P271-V292 HydrophobicContact CB-CG1 3.92Å; V272-V292 VanDerWaalsContact O-CA 3.3Å; V272-V292 WeakPolarHBondContact O-CA 3.48Å; F273-V292 HydrophobicContact CD1-CG1 4.39Å; F273-V292 HydrophobicContact CD1-CG2 3.43Å; F273-V292 VanDerWaalsContact CD1-CG2 3.43Å; F273-V292 HydrophobicContact CE1-CG1 4.29Å; F273-V292 HydrophobicContact CE1-CG2 3.65Å; F273-V292 HydrophobicContact CG-CG2 4.14Å; F273-V292 HydrophobicContact CZ-CG1 4.35Å; F273-V292 HydrophobicContact CZ-CG2 4.5Å; Y290-V292 HydrophobicContact CD2-CG2 4.19Å; V292-I294 HydrophobicContact CG1-CG1 4.31Å; V292-P300 WeakPolarHBondContact O-CA 3.2Å; V292-F301 HydrophobicContact CB-CB 4.46Å; V292-F301 PolarHBondContact N-O 3.38Å; V292-F301 PolarHBondContact O-N 3Å; V292-V324 HydrophobicContact CG2-CG1 3.57Å; V292-L328 HydrophobicContact CB-CD1 3.73Å; V292-L328 HydrophobicContact CG1-CD1 3.71Å; V292-L328 HydrophobicContact CG2-CD1 3.72Å |
| 293 | V | 88.7 | Confident | 83.6 | Confident | 57 Ų | 57 | 57.2 Ų | 57.2 | 35% | 0.345 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 123.9 | 176.7 | -174.2 | 0 | 0 | 0 | 0 | 108 | V272 Q291 P300 | V272-V293 PolarHBondContact N-O 2.87Å; V272-V293 PolarHBondContact O-N 2.86Å; Q291-V293 HydrophobicContact CG-CG2 4.43Å; V293-P300 HydrophobicContact CG2-CB 4.1Å |
| 294 | I | 90.1 | Very high | 84.3 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.015 | 32% | 0.324 | C | S | . | . | trans | -115 | 115 | 172.4 | -53.6 | 178.5 | 0 | 0 | 0 | 105.6 | C263 L268 P271 V292 G296 H297 F301 L332 | C263-I294 HydrophobicContact CB-CG2 4.43Å; L268-I294 HydrophobicContact CB-CG2 3.56Å; L268-I294 HydrophobicContact CD1-CG2 4.43Å; L268-I294 WeakPolarHBondContact O-CG2 3.3Å; P271-I294 HydrophobicContact CB-CG1 4.08Å; V292-I294 HydrophobicContact CG1-CG1 4.31Å; I294-G296 VanDerWaalsContact C-N 3.26Å; I294-G296 PolarHBondContact O-N 2.91Å; I294-G296 VanDerWaalsContact O-N 3.11Å; I294-H297 HydrophobicContact CB-CB 3.91Å; I294-H297 HydrophobicContact CG2-CB 4.37Å; I294-H297 PolarHBondContact O-N 3.1Å; I294-F301 HydrophobicContact CD1-CD2 4.34Å; I294-F301 HydrophobicContact CD1-CE2 3.93Å; I294-L332 HydrophobicContact CD1-CD1 4.08Å | ||
| 295 | P | 84.7 | Confident | 84.8 | Confident | 95 Ų | 95 | 55.7 Ų | 55.7 | 62% | 0.617 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -37.2 | -169.4 | -31.4 | 35.9 | 0 | 0 | 0 | 115.9 | L268 S270 | L268-P295 WeakPolarHBondContact O-CD 3.43Å; S270-P295 WeakPolarHBondContact O-CD 3.5Å |
| 296 | G | 74.7 | Confident | 85.1 | Confident | 43 Ų | 43 | 55.9 Ų | 55.9 | 44% | 0.443 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -0 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L268 I294 | L268-G296 WeakPolarHBondContact CD2-O 3.42Å; L268-G296 WeakPolarHBondContact O-CA 2.91Å; L268-G296 PolarHBondContact O-N 2.85Å; I294-G296 VanDerWaalsContact C-N 3.26Å; I294-G296 PolarHBondContact O-N 2.91Å; I294-G296 VanDerWaalsContact O-N 3.11Å |
| 297 | H | 79.6 | Confident | 85.2 | Confident | 57 Ų | 57 | 54.5 Ų | 54.5 | 26% | 0.264 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -100.1 | 129.2 | 176 | -166.4 | -89.8 | 0 | 0 | 0 | 110.1 | I294 V299 F301 | I294-H297 HydrophobicContact CB-CB 3.91Å; I294-H297 HydrophobicContact CG2-CB 4.37Å; I294-H297 PolarHBondContact O-N 3.1Å; H297-V299 PolarHBondContact CE1-O 2.96Å; H297-V299 PolarHBondContact ND1-O 3.33Å; H297-V299 PolarHBondContact O-N 3.08Å; H297-V299 VanDerWaalsContact O-N 3.14Å; H297-F301 AromaticContact CD2-CZ 3.97Å; H297-F301 AromaticContact CE1-CE2 3.71Å; H297-F301 AromaticContact CE1-CZ 3.37Å; H297-F301 WeakPolarHBondContact CE1-CZ 3.41Å; H297-F301 AromaticContact CG-CE2 3.84Å; H297-F301 AromaticContact ND1-CE2 3.56Å; H297-F301 AromaticContact ND1-CZ 3.74Å; H297-F301 AromaticContact NE2-CZ 3.52Å |
| 298 | P | 71.8 | Confident | 84.9 | Confident | 122 Ų | 122 | 53.1 Ų | 53.1 | 79% | 0.792 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -68 | -20.1 | -167 | 25.7 | -35.7 | 0 | 0 | 0 | 114.5 | ||
| 299 | V | 76.9 | Confident | 84.3 | Confident | 94 Ų | 94 | 55 Ų | 55 | 57% | 0.57 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -134 | 134.4 | -177.3 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | H297 | H297-V299 PolarHBondContact CE1-O 2.96Å; H297-V299 PolarHBondContact ND1-O 3.33Å; H297-V299 PolarHBondContact O-N 3.08Å; H297-V299 VanDerWaalsContact O-N 3.14Å |
| 300 | P | 82.9 | Confident | 83.3 | Confident | 54 Ų | 54 | 54 Ų | 54 | 35% | 0.351 | 32% | 0.318 | S | S | . | . | trans | -70.2 | 143.9 | 175.1 | 30.1 | -35.7 | 0 | 0 | 0 | 111.4 | Q291 V292 V293 | Q291-P300 HydrophobicContact CG-CB 4.05Å; V292-P300 WeakPolarHBondContact O-CA 3.2Å; V293-P300 HydrophobicContact CG2-CB 4.1Å | ||
| 301 | F | 86.8 | Confident | 81.8 | Confident | 43 Ų | 43 | 61.6 Ų | 61.6 | 19% | 0.189 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 127.1 | 174.1 | -61.8 | -90.8 | 0 | 0 | 0 | 108.8 | Q291 V292 I294 H297 L328 L332 | Q291-F301 CarbonylContact C-O 3.56Å; Q291-F301 WeakPolarHBondContact CA-O 3.31Å; V292-F301 HydrophobicContact CB-CB 4.46Å; V292-F301 PolarHBondContact N-O 3.38Å; V292-F301 PolarHBondContact O-N 3Å; I294-F301 HydrophobicContact CD1-CD2 4.34Å; I294-F301 HydrophobicContact CD1-CE2 3.93Å; H297-F301 AromaticContact CD2-CZ 3.97Å; H297-F301 AromaticContact CE1-CE2 3.71Å; H297-F301 AromaticContact CE1-CZ 3.37Å; H297-F301 WeakPolarHBondContact CE1-CZ 3.41Å; H297-F301 AromaticContact CG-CE2 3.84Å; H297-F301 AromaticContact ND1-CE2 3.56Å; H297-F301 AromaticContact ND1-CZ 3.74Å; H297-F301 AromaticContact NE2-CZ 3.52Å; F301-L328 HydrophobicContact CB-CD2 3.58Å; F301-L328 HydrophobicContact CD1-CD2 3.43Å; F301-L328 VanDerWaalsContact CD1-CD2 3.43Å; F301-L328 HydrophobicContact CD2-CD2 3.77Å; F301-L328 HydrophobicContact CE1-CD2 4.01Å; F301-L328 HydrophobicContact CE2-CD2 4.32Å; F301-L328 HydrophobicContact CG-CD2 3.29Å; F301-L328 HydrophobicContact CZ-CD2 4.42Å; F301-L332 HydrophobicContact CZ-CD2 4.08Å |
| 302 | S | 88.1 | Confident | 80.4 | Confident | 75 Ų | 75 | 65.2 Ų | 65.2 | 52% | 0.524 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 152.6 | 178.1 | 59 | 0 | 0 | 0 | 0 | 111.4 | Y290 | Y290-S302 VanDerWaalsContact O-CA 3.24Å; Y290-S302 WeakPolarHBondContact O-CA 3.2Å; Y290-S302 WeakPolarHBondContact O-CB 3.35Å |
| 303 | G | 85.1 | Confident | 78.8 | Confident | 22 Ų | 22 | 68.8 Ų | 68.8 | 23% | 0.227 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.8 | -166.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | W289 Y290 | W289-G303 WeakPolarHBondContact CA-O 3.5Å; Y290-G303 WeakPolarHBondContact CD1-O 3.38Å; Y290-G303 VanDerWaalsContact CE1-C 3.45Å; Y290-G303 PolarHBondContact N-O 3.45Å; Y290-G303 PolarHBondContact O-N 3.05Å |
| 304 | L | 86.7 | Confident | 77.8 | Confident | 88 Ų | 88 | 70.8 Ų | 70.8 | 46% | 0.461 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 142 | 174.6 | -62.1 | 176.3 | 0 | 0 | 0 | 109.6 | L278 F288 W289 R327 | L278-L304 HydrophobicContact CD1-CD2 3.47Å; L278-L304 VanDerWaalsContact CD1-CD2 3.47Å; F288-L304 WeakPolarHBondContact O-CA 3.24Å; W289-L304 HydrophobicContact CB-CD2 3.97Å; L304-R327 PolarHBondContact O-NH1 3.43Å |
| 305 | I | 85.7 | Confident | 77.3 | Confident | 5 Ų | 5 | 75 Ų | 75 | 3% | 0.026 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 146.7 | 173.6 | -163 | 161.6 | 0 | 0 | 0 | 110.1 | F288 Y290 A320 A323 V324 | F288-I305 HydrophobicContact CB-CG2 3.94Å; F288-I305 PolarHBondContact N-O 3.3Å; F288-I305 PolarHBondContact O-N 3.42Å; Y290-I305 HydrophobicContact CD1-CB 4.16Å; Y290-I305 HydrophobicContact CD1-CG2 4.03Å; Y290-I305 HydrophobicContact CE1-CB 4.2Å; I305-A320 HydrophobicContact CG2-CB 4.37Å; I305-A323 HydrophobicContact CD1-CB 3.52Å; I305-A323 HydrophobicContact CG1-CB 4.49Å; I305-V324 HydrophobicContact CB-CG2 4.5Å; I305-V324 HydrophobicContact CD1-CG2 3.91Å; I305-V324 HydrophobicContact CG2-CG2 4.06Å |
| 306 | W | 85.3 | Confident | 77.3 | Confident | 119 Ų | 119 | 70.7 Ų | 70.7 | 45% | 0.451 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 130.7 | 173.4 | -71.8 | 100.6 | 0 | 0 | 0 | 108 | W285 H286 R287 | W285-W306 HydrophobicContact CB-CE3 3.84Å; W285-W306 HydrophobicContact CB-CZ3 4.12Å; W285-W306 HydrophobicContact CE3-CB 3.67Å; W285-W306 HydrophobicContact CZ3-CB 3.96Å; H286-W306 WeakPolarHBondContact O-CA 3.33Å; R287-W306 HydrophobicContact CB-CD2 4Å; R287-W306 HydrophobicContact CB-CE3 3.69Å; R287-W306 HydrophobicContact CB-CH2 3.76Å; R287-W306 HydrophobicContact CB-CZ2 4.04Å; R287-W306 HydrophobicContact CB-CZ3 3.57Å; R287-W306 VanDerWaalsContact CD-CZ2 3.46Å; R287-W306 HydrophobicContact CG-CD2 4.03Å; R287-W306 HydrophobicContact CG-CE3 4.25Å; R287-W306 HydrophobicContact CG-CH2 4.19Å; R287-W306 HydrophobicContact CG-CZ2 3.94Å; R287-W306 HydrophobicContact CG-CZ3 4.33Å |
| 307 | V | 84.3 | Confident | 77.7 | Confident | 7 Ų | 7 | 71.4 Ų | 71.4 | 4% | 0.042 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 144.5 | 175.5 | -63.2 | 0 | 0 | 0 | 0 | 109.5 | H286 F288 L309 V319 A320 A323 | H286-V307 HydrophobicContact CB-CG2 4.29Å; H286-V307 PolarHBondContact N-O 2.95Å; H286-V307 PolarHBondContact O-N 3.49Å; F288-V307 HydrophobicContact CD2-CG2 3.7Å; F288-V307 HydrophobicContact CE2-CG2 3.51Å; V307-L309 HydrophobicContact CG2-CD2 4.01Å; V307-V319 HydrophobicContact CB-CG1 3.95Å; V307-V319 HydrophobicContact CG1-CG1 4.14Å; V307-V319 HydrophobicContact CG2-CG1 4.44Å; V307-A320 HydrophobicContact CG1-CB 4.37Å; V307-A323 HydrophobicContact CG1-CB 4Å |
| 308 | V | 82.3 | Confident | 78.1 | Confident | 65 Ų | 65 | 72.2 Ų | 72.2 | 39% | 0.394 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 129.6 | 169.4 | -179.4 | 0 | 0 | 0 | 0 | 107 | W285 | W285-V308 HydrophobicContact CD2-CG2 3.39Å; W285-V308 HydrophobicContact CE3-CG2 3.52Å; W285-V308 HydrophobicContact CG-CG2 4.07Å; W285-V308 HydrophobicContact CH2-CG2 3.64Å; W285-V308 HydrophobicContact CZ2-CG2 3.46Å; W285-V308 VanDerWaalsContact CZ2-CG2 3.46Å; W285-V308 HydrophobicContact CZ3-CG2 3.67Å |
| 309 | L | 75.6 | Confident | 78.8 | Confident | 42 Ų | 42 | 68 Ų | 68 | 22% | 0.22 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -95.1 | 120.9 | 171.8 | -54.4 | -175.2 | 0 | 0 | 0 | 107.3 | H286 V307 V319 | H286-L309 HydrophobicContact CB-CD1 4.43Å; H286-L309 HydrophobicContact CB-CG 4.49Å; V307-L309 HydrophobicContact CG2-CD2 4.01Å; L309-V319 HydrophobicContact CD2-CB 4.21Å; L309-V319 HydrophobicContact CD2-CG2 4.17Å |
| 310 | T | 69.9 | Low | 79.2 | Confident | 68 Ų | 68 | 63.5 Ų | 63.5 | 42% | 0.417 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 159.9 | 170.9 | 62.8 | 0 | 0 | 0 | 0 | 109.2 | D312 | T310-D312 WeakPolarHBondContact CB-OD2 3.43Å; T310-D312 PolarHBondContact O-N 2.74Å; T310-D312 PolarHBondContact OG1-OD2 2.76Å |
| 311 | L | 58 | Low | 79.5 | Confident | 183 Ų | 183 | 62.7 Ų | 62.7 | 96% | 0.958 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -3 | -178.7 | -71.2 | 164.2 | 0 | 0 | 0 | 113.6 | G313 | L311-G313 PolarHBondContact O-N 3.02Å; L311-G313 VanDerWaalsContact O-N 3.07Å |
| 312 | D | 59.2 | Low | 79.6 | Confident | 128 Ų | 128 | 63.6 Ų | 63.6 | 68% | 0.684 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 22.1 | -173.4 | -48.4 | -51.1 | 0 | 0 | 0 | 114.1 | T310 Q314 | T310-D312 WeakPolarHBondContact CB-OD2 3.43Å; T310-D312 PolarHBondContact O-N 2.74Å; T310-D312 PolarHBondContact OG1-OD2 2.76Å; D312-Q314 PolarHBondContact O-N 3.23Å |
| 313 | G | 59.6 | Low | 79.6 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 76% | 0.763 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 22.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | L311 D315 | L311-G313 PolarHBondContact O-N 3.02Å; L311-G313 VanDerWaalsContact O-N 3.07Å; G313-D315 PolarHBondContact O-N 3.17Å |
| 314 | Q | 67.3 | Low | 79.8 | Confident | 100 Ų | 100 | 60.6 Ų | 60.6 | 47% | 0.467 | 33% | 0.334 | S | S | . | . | trans | -65.7 | 132.5 | 178 | -68.4 | -174.9 | -24.3 | 0 | 0 | 111.2 | D312 G316 V319 | D312-Q314 PolarHBondContact O-N 3.23Å; Q314-G316 PolarHBondContact O-N 2.78Å; Q314-G316 VanDerWaalsContact O-N 3.12Å; Q314-V319 HydrophobicContact CB-CG2 4.01Å | ||
| 315 | D | 80.1 | Confident | 80 | Confident | 90 Ų | 90 | 56.4 Ų | 56.4 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | trans | -64.9 | 114 | 172.1 | -175 | -19.1 | 0 | 0 | 0 | 109.3 | G313 H317 E318 V319 | G313-D315 PolarHBondContact O-N 3.17Å; D315-H317 PolarHBondContact O-N 3.37Å; D315-H317 VanDerWaalsContact O-N 3.14Å; D315-H317 VanDerWaalsContact OD1-CB 3.31Å; D315-H317 WeakPolarHBondContact OD1-CB 3.38Å; D315-H317 IonicContact OD1-CD2 2.93Å; D315-H317 IonicContact OD1-CG 2.63Å; D315-H317 PolarHBondContact OD1-N 3.49Å; D315-E318 HydrophobicContact CB-CB 4.3Å; D315-E318 HydrophobicContact CB-CG 3.94Å; D315-E318 WeakPolarHBondContact O-CB 3.27Å; D315-E318 PolarHBondContact O-N 2.83Å; D315-V319 PolarHBondContact O-N 3.38Å; D315-V319 VanDerWaalsContact O-N 3.14Å | ||
| 316 | G | 82.8 | Confident | 80.1 | Confident | 6 Ų | 6 | 59.4 Ų | 59.4 | 6% | 0.062 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.4 | -22 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | F288 Q314 A320 | F288-G316 VanDerWaalsContact CZ-C 3.46Å; F288-G316 WeakPolarHBondContact CZ-O 3.48Å; Q314-G316 PolarHBondContact O-N 2.78Å; Q314-G316 VanDerWaalsContact O-N 3.12Å; G316-A320 WeakPolarHBondContact O-CB 3.47Å; G316-A320 PolarHBondContact O-N 3.4Å |
| 317 | H | 84.3 | Confident | 80.2 | Confident | 58 Ų | 58 | 59.6 Ų | 59.6 | 27% | 0.269 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.3 | -38.1 | 170.9 | -73 | -90.8 | 0 | 0 | 0 | 112 | T275 F288 D315 A320 K321 | T275-H317 WeakPolarHBondContact CB-ND1 3.28Å; T275-H317 PolarHBondContact O-CE1 3.18Å; T275-H317 VanDerWaalsContact O-CE1 3.28Å; T275-H317 PolarHBondContact O-ND1 2.93Å; T275-H317 PolarHBondContact OG1-ND1 2.85Å; F288-H317 AromaticContact CE1-CD2 3.84Å; F288-H317 AromaticContact CE1-CE1 3.72Å; F288-H317 AromaticContact CE1-CG 3.85Å; F288-H317 AromaticContact CE1-ND1 3.75Å; F288-H317 AromaticContact CE1-NE2 3.74Å; D315-H317 PolarHBondContact O-N 3.37Å; D315-H317 VanDerWaalsContact O-N 3.14Å; D315-H317 VanDerWaalsContact OD1-CB 3.31Å; D315-H317 WeakPolarHBondContact OD1-CB 3.38Å; D315-H317 IonicContact OD1-CD2 2.93Å; D315-H317 IonicContact OD1-CG 2.63Å; D315-H317 PolarHBondContact OD1-N 3.49Å; H317-A320 PolarHBondContact O-N 3.36Å; H317-K321 WeakPolarHBondContact O-CB 3.34Å; H317-K321 WeakPolarHBondContact O-CG 3.33Å; H317-K321 PolarHBondContact O-N 3.03Å |
| 318 | E | 86.9 | Confident | 80.3 | Confident | 73 Ų | 73 | 59.4 Ų | 59.4 | 34% | 0.341 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.9 | -42.6 | 178.4 | -61.9 | -59.9 | 106.3 | 0 | 0 | 110.8 | R256 D315 A320 K321 D322 | R256-E318 IonicContact CZ-OE2 3.62Å; R256-E318 VanDerWaalsContact NH1-CD 3.3Å; R256-E318 IonicContact NH1-OE1 3.29Å; R256-E318 IonicContact NH1-OE2 3.34Å; R256-E318 PolarHBondContact NH1-OE2 2.75Å; R256-E318 IonicContact NH2-OE2 3.85Å; R256-E318 PolarHBondContact NH2-OE2 3.36Å; D315-E318 HydrophobicContact CB-CB 4.3Å; D315-E318 HydrophobicContact CB-CG 3.94Å; D315-E318 WeakPolarHBondContact O-CB 3.27Å; D315-E318 PolarHBondContact O-N 2.83Å; E318-A320 VanDerWaalsContact C-N 3.33Å; E318-A320 PolarHBondContact O-N 3.03Å; E318-K321 PolarHBondContact O-N 2.83Å; E318-K321 WeakPolarHBondContact OE1-CD 3.36Å; E318-K321 IonicContact OE1-NZ 3.5Å; E318-K321 PolarHBondContact OE1-NZ 3.44Å; E318-D322 PolarHBondContact O-N 2.84Å |
| 319 | V | 86.7 | Confident | 80.5 | Confident | 34 Ų | 34 | 58 Ų | 58 | 21% | 0.206 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.1 | -42 | 172.7 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | V307 L309 Q314 D315 D322 A323 | V307-V319 HydrophobicContact CB-CG1 3.95Å; V307-V319 HydrophobicContact CG1-CG1 4.14Å; V307-V319 HydrophobicContact CG2-CG1 4.44Å; L309-V319 HydrophobicContact CD2-CB 4.21Å; L309-V319 HydrophobicContact CD2-CG2 4.17Å; Q314-V319 HydrophobicContact CB-CG2 4.01Å; D315-V319 PolarHBondContact O-N 3.38Å; D315-V319 VanDerWaalsContact O-N 3.14Å; V319-D322 PolarHBondContact O-N 3.36Å; V319-A323 WeakPolarHBondContact O-CB 3.5Å; V319-A323 PolarHBondContact O-N 3.34Å |
| 320 | A | 85.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.2 | -43 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | T275 F288 I305 V307 G316 H317 E318 D322 A323 V324 | T275-A320 HydrophobicContact CG2-CB 4.47Å; F288-A320 HydrophobicContact CB-CB 4.13Å; F288-A320 HydrophobicContact CD1-CB 4.11Å; F288-A320 HydrophobicContact CD2-CB 4Å; F288-A320 HydrophobicContact CE2-CB 4.44Å; F288-A320 HydrophobicContact CG-CB 3.82Å; I305-A320 HydrophobicContact CG2-CB 4.37Å; V307-A320 HydrophobicContact CG1-CB 4.37Å; G316-A320 WeakPolarHBondContact O-CB 3.47Å; G316-A320 PolarHBondContact O-N 3.4Å; H317-A320 PolarHBondContact O-N 3.36Å; E318-A320 VanDerWaalsContact C-N 3.33Å; E318-A320 PolarHBondContact O-N 3.03Å; A320-D322 PolarHBondContact O-N 2.89Å; A320-A323 PolarHBondContact O-N 3.34Å; A320-V324 WeakPolarHBondContact O-CB 3.49Å; A320-V324 WeakPolarHBondContact O-CG2 3.34Å; A320-V324 PolarHBondContact O-N 3Å |
| 321 | K | 90.2 | Very high | 81.2 | Confident | 36 Ų | 36 | 59.6 Ų | 59.6 | 16% | 0.157 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 177 | -71.7 | 168.7 | -171.2 | 166.8 | 0 | 111.8 | F273 T275 H317 E318 S325 | F273-K321 HydrophobicContact CB-CD 4.03Å; F273-K321 HydrophobicContact CB-CG 3.8Å; F273-K321 HydrophobicContact CD1-CB 4.03Å; F273-K321 HydrophobicContact CD1-CG 3.91Å; F273-K321 HydrophobicContact CE1-CB 4.41Å; F273-K321 HydrophobicContact CG-CB 4.39Å; F273-K321 HydrophobicContact CG-CD 4.44Å; F273-K321 HydrophobicContact CG-CG 3.99Å; T275-K321 HydrophobicContact CG2-CG 3.86Å; H317-K321 WeakPolarHBondContact O-CB 3.34Å; H317-K321 WeakPolarHBondContact O-CG 3.33Å; H317-K321 PolarHBondContact O-N 3.03Å; E318-K321 PolarHBondContact O-N 2.83Å; E318-K321 WeakPolarHBondContact OE1-CD 3.36Å; E318-K321 IonicContact OE1-NZ 3.5Å; E318-K321 PolarHBondContact OE1-NZ 3.44Å; K321-S325 WeakPolarHBondContact O-CB 3.46Å; K321-S325 PolarHBondContact O-N 2.89Å; K321-S325 PolarHBondContact O-OG 3.48Å |
| 322 | D | 88.6 | Confident | 82.1 | Confident | 63 Ų | 63 | 51.2 Ų | 51.2 | 34% | 0.337 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.6 | -47.3 | 175 | -89.5 | -19.5 | 0 | 0 | 0 | 112 | R256 E318 V319 A320 V324 S325 V326 | R256-D322 WeakPolarHBondContact CD-OD1 3.36Å; R256-D322 WeakPolarHBondContact CG-OD1 3.25Å; R256-D322 PolarHBondContact N-OD1 3.02Å; E318-D322 PolarHBondContact O-N 2.84Å; V319-D322 PolarHBondContact O-N 3.36Å; A320-D322 PolarHBondContact O-N 2.89Å; D322-V324 VanDerWaalsContact C-N 3.32Å; D322-V324 PolarHBondContact O-N 3.32Å; D322-S325 WeakPolarHBondContact O-CB 3.31Å; D322-S325 PolarHBondContact O-N 2.73Å; D322-V326 PolarHBondContact O-N 3.03Å; D322-V326 VanDerWaalsContact O-N 3.08Å |
| 323 | A | 87.9 | Confident | 82.6 | Confident | 33 Ų | 33 | 48.6 Ų | 48.6 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | I305 V307 V319 A320 S325 R327 | I305-A323 HydrophobicContact CD1-CB 3.52Å; I305-A323 HydrophobicContact CG1-CB 4.49Å; V307-A323 HydrophobicContact CG1-CB 4Å; V319-A323 WeakPolarHBondContact O-CB 3.5Å; V319-A323 PolarHBondContact O-N 3.34Å; A320-A323 PolarHBondContact O-N 3.34Å; A323-S325 VanDerWaalsContact C-N 3.34Å; A323-R327 PolarHBondContact O-N 2.96Å |
| 324 | V | 89.5 | Confident | 82.6 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 172 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | F273 Y290 V292 I305 A320 D322 V326 R327 L328 | F273-V324 HydrophobicContact CD1-CG1 4.39Å; F273-V324 HydrophobicContact CE1-CB 4.41Å; F273-V324 HydrophobicContact CE1-CG1 4.06Å; Y290-V324 HydrophobicContact CD1-CG2 3.53Å; Y290-V324 HydrophobicContact CD2-CB 4.37Å; Y290-V324 HydrophobicContact CD2-CG1 3.55Å; Y290-V324 HydrophobicContact CD2-CG2 3.78Å; Y290-V324 HydrophobicContact CE1-CG2 3.91Å; Y290-V324 HydrophobicContact CE2-CG1 3.65Å; Y290-V324 HydrophobicContact CE2-CG2 4.13Å; Y290-V324 HydrophobicContact CG-CB 4.48Å; Y290-V324 HydrophobicContact CG-CG1 4.13Å; Y290-V324 HydrophobicContact CG-CG2 3.45Å; Y290-V324 VanDerWaalsContact CG-CG2 3.45Å; V292-V324 HydrophobicContact CG2-CG1 3.57Å; I305-V324 HydrophobicContact CB-CG2 4.5Å; I305-V324 HydrophobicContact CD1-CG2 3.91Å; I305-V324 HydrophobicContact CG2-CG2 4.06Å; A320-V324 WeakPolarHBondContact O-CB 3.49Å; A320-V324 WeakPolarHBondContact O-CG2 3.34Å; A320-V324 PolarHBondContact O-N 3Å; D322-V324 VanDerWaalsContact C-N 3.32Å; D322-V324 PolarHBondContact O-N 3.32Å; V324-V326 VanDerWaalsContact C-N 3.35Å; V324-V326 PolarHBondContact O-N 3.24Å; V324-R327 PolarHBondContact O-N 2.86Å; V324-L328 HydrophobicContact CG1-CD1 3.94Å; V324-L328 HydrophobicContact CG1-CG 4.26Å; V324-L328 WeakPolarHBondContact O-CG 3.34Å; V324-L328 PolarHBondContact O-N 3.14Å |
| 325 | S | 90.3 | Very high | 81.9 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 179.4 | -59.6 | 0 | 0 | 0 | 0 | 112.5 | R256 F273 K321 D322 A323 R327 L328 L329 | R256-S325 WeakPolarHBondContact CG-OG 3.49Å; F273-S325 WeakPolarHBondContact CE1-OG 3.4Å; F273-S325 WeakPolarHBondContact CZ-OG 3.25Å; K321-S325 WeakPolarHBondContact O-CB 3.46Å; K321-S325 PolarHBondContact O-N 2.89Å; K321-S325 PolarHBondContact O-OG 3.48Å; D322-S325 WeakPolarHBondContact O-CB 3.31Å; D322-S325 PolarHBondContact O-N 2.73Å; A323-S325 VanDerWaalsContact C-N 3.34Å; S325-R327 VanDerWaalsContact C-N 3.34Å; S325-R327 PolarHBondContact O-N 3.36Å; S325-L328 PolarHBondContact O-N 3.31Å; S325-L329 WeakPolarHBondContact O-CB 3.32Å; S325-L329 VanDerWaalsContact O-CG 3.32Å; S325-L329 WeakPolarHBondContact O-CG 3.15Å; S325-L329 PolarHBondContact O-N 3Å |
| 326 | V | 88.4 | Confident | 80.5 | Confident | 69 Ų | 69 | 47.1 Ų | 47.1 | 42% | 0.418 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 173.5 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | A255 D322 V324 L328 L329 Q330 | A255-V326 HydrophobicContact CB-CG2 3.52Å; D322-V326 PolarHBondContact O-N 3.03Å; D322-V326 VanDerWaalsContact O-N 3.08Å; V324-V326 VanDerWaalsContact C-N 3.35Å; V324-V326 PolarHBondContact O-N 3.24Å; V326-L328 VanDerWaalsContact C-N 3.35Å; V326-L328 PolarHBondContact O-N 3.49Å; V326-L329 PolarHBondContact O-N 3.28Å; V326-Q330 PolarHBondContact O-N 3.14Å |
| 327 | R | 86 | Confident | 78.4 | Confident | 122 Ų | 122 | 49.8 Ų | 49.8 | 46% | 0.46 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64 | -39 | 177.7 | -72.9 | -173.7 | 172.5 | -179.2 | -1.2 | 112.5 | L304 A323 V324 S325 Q330 A331 | L304-R327 PolarHBondContact O-NH1 3.43Å; A323-R327 PolarHBondContact O-N 2.96Å; V324-R327 PolarHBondContact O-N 2.86Å; S325-R327 VanDerWaalsContact C-N 3.34Å; S325-R327 PolarHBondContact O-N 3.36Å; R327-Q330 PolarHBondContact O-N 3.1Å; R327-A331 PolarHBondContact O-N 3.4Å |
| 328 | L | 86.1 | Confident | 76 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.9 | -36.7 | 179 | -69.3 | 177.7 | 0 | 0 | 0 | 112.6 | L259 V292 F301 V324 S325 V326 Q330 A331 L332 | L259-L328 HydrophobicContact CD1-CB 3.78Å; L259-L328 HydrophobicContact CD2-CB 4.11Å; L259-L328 HydrophobicContact CD2-CD1 3.85Å; V292-L328 HydrophobicContact CB-CD1 3.73Å; V292-L328 HydrophobicContact CG1-CD1 3.71Å; V292-L328 HydrophobicContact CG2-CD1 3.72Å; F301-L328 HydrophobicContact CB-CD2 3.58Å; F301-L328 HydrophobicContact CD1-CD2 3.43Å; F301-L328 VanDerWaalsContact CD1-CD2 3.43Å; F301-L328 HydrophobicContact CD2-CD2 3.77Å; F301-L328 HydrophobicContact CE1-CD2 4.01Å; F301-L328 HydrophobicContact CE2-CD2 4.32Å; F301-L328 HydrophobicContact CG-CD2 3.29Å; F301-L328 HydrophobicContact CZ-CD2 4.42Å; V324-L328 HydrophobicContact CG1-CD1 3.94Å; V324-L328 HydrophobicContact CG1-CG 4.26Å; V324-L328 WeakPolarHBondContact O-CG 3.34Å; V324-L328 PolarHBondContact O-N 3.14Å; S325-L328 PolarHBondContact O-N 3.31Å; V326-L328 VanDerWaalsContact C-N 3.35Å; V326-L328 PolarHBondContact O-N 3.49Å; L328-Q330 VanDerWaalsContact C-N 3.28Å; L328-Q330 PolarHBondContact O-N 3.28Å; L328-A331 PolarHBondContact O-N 3.05Å; L328-L332 WeakPolarHBondContact O-CB 3.22Å; L328-L332 WeakPolarHBondContact O-CG 3.44Å; L328-L332 PolarHBondContact O-N 3.26Å |
| 329 | L | 86.6 | Confident | 73.5 | Confident | 34 Ų | 34 | 54.7 Ų | 54.7 | 18% | 0.178 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.6 | -40.7 | 173.4 | -77 | 168.3 | 0 | 0 | 0 | 111.6 | T258 L259 L262 S325 V326 S333 | T258-L329 HydrophobicContact CG2-CD1 3.87Å; T258-L329 HydrophobicContact CG2-CD2 3.99Å; L259-L329 HydrophobicContact CB-CD1 4.49Å; L259-L329 HydrophobicContact CB-CD2 4.16Å; L259-L329 HydrophobicContact CB-CG 4.12Å; L259-L329 HydrophobicContact CD1-CD2 3.99Å; L259-L329 HydrophobicContact CD1-CG 4.01Å; L262-L329 HydrophobicContact CB-CD2 4.24Å; L262-L329 HydrophobicContact CD2-CD2 3.73Å; S325-L329 WeakPolarHBondContact O-CB 3.32Å; S325-L329 VanDerWaalsContact O-CG 3.32Å; S325-L329 WeakPolarHBondContact O-CG 3.15Å; S325-L329 PolarHBondContact O-N 3Å; V326-L329 PolarHBondContact O-N 3.28Å; L329-S333 VanDerWaalsContact O-CB 3.28Å; L329-S333 WeakPolarHBondContact O-CB 3.29Å; L329-S333 PolarHBondContact O-N 2.63Å; L329-S333 PolarHBondContact O-OG 3.32Å |
| 330 | Q | 81.8 | Confident | 70.9 | Confident | 111 Ų | 111 | 60 Ų | 60 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.9 | -48.9 | 173.4 | -68.9 | 172.7 | -20.5 | 0 | 0 | 111.3 | V326 R327 L328 L332 S333 E334 | V326-Q330 PolarHBondContact O-N 3.14Å; R327-Q330 PolarHBondContact O-N 3.1Å; L328-Q330 VanDerWaalsContact C-N 3.28Å; L328-Q330 PolarHBondContact O-N 3.28Å; Q330-L332 PolarHBondContact O-N 2.93Å; Q330-S333 PolarHBondContact O-N 2.8Å; Q330-S333 PolarHBondContact O-OG 2.77Å; Q330-E334 WeakPolarHBondContact O-CG 3.32Å; Q330-E334 PolarHBondContact O-N 2.96Å |
| 331 | A | 78.4 | Confident | 68.2 | Low | 33 Ų | 33 | 71 Ų | 71 | 27% | 0.273 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.5 | -38.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R327 L328 S335 | R327-A331 PolarHBondContact O-N 3.4Å; L328-A331 PolarHBondContact O-N 3.05Å; A331-S335 PolarHBondContact O-N 3.48Å; A331-S335 PolarHBondContact O-OG 3.22Å; A331-S335 VanDerWaalsContact O-OG 3.05Å |
| 332 | L | 77.3 | Confident | 65.4 | Low | 8 Ų | 8 | 74.6 Ų | 74.6 | 4% | 0.042 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -77 | -32.6 | 179.5 | -68.9 | 174 | 0 | 0 | 0 | 112.3 | L259 L262 M266 I294 F301 L328 Q330 S335 G336 | L259-L332 HydrophobicContact CD1-CD1 3.77Å; L262-L332 HydrophobicContact CD2-CB 3.92Å; L262-L332 HydrophobicContact CD2-CD1 4.28Å; M266-L332 HydrophobicContact CE-CB 4.23Å; M266-L332 HydrophobicContact CE-CD1 4.45Å; M266-L332 HydrophobicContact CE-CD2 4.26Å; I294-L332 HydrophobicContact CD1-CD1 4.08Å; F301-L332 HydrophobicContact CZ-CD2 4.08Å; L328-L332 WeakPolarHBondContact O-CB 3.22Å; L328-L332 WeakPolarHBondContact O-CG 3.44Å; L328-L332 PolarHBondContact O-N 3.26Å; Q330-L332 PolarHBondContact O-N 2.93Å; L332-S335 PolarHBondContact O-N 3.47Å; L332-G336 PolarHBondContact O-N 3.44Å |
| 333 | S | 69.4 | Low | 62.8 | Low | 72 Ų | 72 | 76.2 Ų | 76.2 | 50% | 0.503 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -70.1 | -37.7 | 174 | 55.8 | 0 | 0 | 0 | 0 | 112.3 | L329 Q330 G336 A337 | L329-S333 VanDerWaalsContact O-CB 3.28Å; L329-S333 WeakPolarHBondContact O-CB 3.29Å; L329-S333 PolarHBondContact O-N 2.63Å; L329-S333 PolarHBondContact O-OG 3.32Å; Q330-S333 PolarHBondContact O-N 2.8Å; Q330-S333 PolarHBondContact O-OG 2.77Å; S333-G336 PolarHBondContact O-N 3.19Å; S333-A337 PolarHBondContact O-N 3.47Å |
| 334 | E | 59.4 | Low | 60 | Low | 144 Ų | 144 | 78.5 Ų | 78.5 | 67% | 0.673 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.6 | -38.1 | 173 | -72.4 | 174.2 | -173.4 | 0 | 0 | 112.4 | Q330 | Q330-E334 WeakPolarHBondContact O-CG 3.32Å; Q330-E334 PolarHBondContact O-N 2.96Å |
| 335 | S | 54.3 | Low | 57 | Low | 67 Ų | 67 | 82.8 Ų | 82.8 | 47% | 0.469 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.4 | -31 | 176.3 | -63.3 | 0 | 0 | 0 | 0 | 112.9 | A331 L332 S338 | A331-S335 PolarHBondContact O-N 3.48Å; A331-S335 PolarHBondContact O-OG 3.22Å; A331-S335 VanDerWaalsContact O-OG 3.05Å; L332-S335 PolarHBondContact O-N 3.47Å; S335-S338 PolarHBondContact O-N 3.38Å |
| 336 | G | 50.3 | Low | 54.1 | Low | 22 Ų | 22 | 91.8 Ų | 91.8 | 23% | 0.227 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -67.7 | -32.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L332 S333 S338 L339 L340 | L332-G336 PolarHBondContact O-N 3.44Å; S333-G336 PolarHBondContact O-N 3.19Å; G336-S338 VanDerWaalsContact C-N 3.27Å; G336-S338 PolarHBondContact O-N 3.26Å; G336-L339 PolarHBondContact O-N 2.99Å; G336-L340 PolarHBondContact O-N 3.14Å |
| 337 | A | 39 | Very low | 51.2 | Low | 63 Ų | 63 | 93.4 Ų | 93.4 | 52% | 0.521 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.6 | -28.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S333 L339 | S333-A337 PolarHBondContact O-N 3.47Å; A337-L339 VanDerWaalsContact C-N 3.34Å |
| 338 | S | 33.6 | Very low | 48.2 | Very low | 93 Ų | 93 | 91 Ų | 91 | 65% | 0.65 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -77.6 | -17.6 | 176.9 | -171.1 | 0 | 0 | 0 | 0 | 113.7 | S335 G336 | S335-S338 PolarHBondContact O-N 3.38Å; G336-S338 VanDerWaalsContact C-N 3.27Å; G336-S338 PolarHBondContact O-N 3.26Å |
| 339 | L | 33.9 | Very low | 45.2 | Very low | 141 Ų | 141 | 97.8 Ų | 97.8 | 74% | 0.738 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -94.6 | -15.6 | -179.2 | -79.2 | 161 | 0 | 0 | 0 | 113.1 | G336 A337 | G336-L339 PolarHBondContact O-N 2.99Å; A337-L339 VanDerWaalsContact C-N 3.34Å |
| 340 | L | 32 | Very low | 42.2 | Very low | 146 Ų | 146 | 104 Ų | 104 | 76% | 0.764 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -2.8 | 179.9 | -75.9 | 164.2 | 0 | 0 | 0 | 114.2 | G336 | G336-L340 PolarHBondContact O-N 3.14Š|
| 341 | W | 29 | Very low | 39.3 | Very low | 229 Ų | 229 | 103.9 Ų | 103.9 | 87% | 0.867 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 14 | 179.4 | -126.3 | -72.2 | 0 | 0 | 0 | 114.8 | ||
| 342 | S | 31 | Very low | 36.8 | Very low | 113 Ų | 113 | 111.7 Ų | 111.7 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -126.3 | 23.3 | 178.9 | -63.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 343 | A | 34.1 | Very low | 34.7 | Very low | 97 Ų | 97 | 123.5 Ų | 123.5 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -133.6 | 92.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 344 | G | 29.9 | Very low | 33 | Very low | 80 Ų | 80 | 126.1 Ų | 126.1 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | 155 | 79.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 345 | A | 26.5 | Very low | 31.6 | Very low | 91 Ų | 91 | 125.1 Ų | 125.1 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | trans | -175.7 | 80.2 | 149.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 346 | E | 28.5 | Very low | 30.3 | Very low | 189 Ų | 189 | 128.3 Ų | 128.3 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | 77.4 | 96.5 | 111.8 | -72.5 | -167.2 | 141.1 | 0 | 0 | 112.7 | |||||
| 347 | A | 28.6 | Very low | 29.1 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | 67.6 | 89.6 | 81 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 348 | G | 23.1 | Very low | 28.5 | Very low | 70 Ų | 70 | 139.1 Ų | 139.1 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | trans | -107.8 | 128.6 | 153.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 349 | T | 23.6 | Very low | 28.2 | Very low | 147 Ų | 147 | 142.1 Ų | 142.1 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | -177 | 128 | 116 | -62.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 350 | M | 21.7 | Very low | 27.8 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | -51.6 | 160.5 | 170 | -73.3 | 161.6 | 52.1 | 0 | 0 | 114.7 | ||||
| 351 | V | 22.3 | Very low | 27.4 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 65% | 0.648 | 84% | 0.839 | S | S | * | * | 164.3 | 129.3 | 101.4 | 161.3 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 352 | K | 25.8 | Very low | 27.3 | Very low | 197 Ų | 197 | 134.7 Ų | 134.7 | 86% | 0.857 | 84% | 0.837 | S | S | * | * | trans | 44.9 | 140.4 | 149.7 | -66.6 | 171.4 | 177.9 | 179.3 | 0 | 119.2 | ||||
| 353 | Q | 32.5 | Very low | 27 | Very low | 256 Ų | 256 | 136.6 Ų | 136.6 | 100% | 1.196 | 84% | 0.841 | S | S | * | * | cis | -151.1 | 0 | 29.4 | -149.6 | 174.9 | 7.8 | 0 | 0 | 109.8 |
Retrieved 353 of 353 residues in 529.3 ms
(Link to these results)